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DISEO DE INTERCAMBIADORES DE CALOR

Autor: Monja Lopez Osmar Autor: Monja Lopez Osmar


Propiedades Fisicas de los Fluidos

NH3(g)
Tm (F) 170
m (Lb/h) 9900
Te (F) 245
Ts (F) 95
Cp (btu/lb*F) 0.525
u (cp) 0.012
k (btu/hr.pie.F) 0.017
(lb/pie3) 0.209
r 0.001
S 0.003349359

Balance Termico

Q= m*Cp*T
Q= -779625

Masa de Agua Requerida

m= 77962.5

Calculo del MLTD (en contracorriente)

245
95

85
95
150 10

MLTD = 51.70

Caracteristicas de los Tubos.

BWG OD (pulg) do (pulg)


16.00 3/4" 0.75

Arreglo

Curso de los fluidos

Lado del tubo: NH3(g)


Lado del casco: H20

Diseo Rapido

Estimamos

Ud (BTU/Lb.pie2.F) = 30
Ao (pie2) = 502.68 Intercambiador de Casco y Tub
Nt= 320
Nt(corregido)+5%= 336.0172584088

NPASOS 1 2
Nt 387 370
Ds 21 21
Espaciado (e)= 1/5*Ds<e<Ds 12.75 12.75

Calculo del coeficiente de pelcula en el lado de los tubos: ht

Calculo del numero de Reynolds

1 2
at = 0.811 0.388
Gt (Lb/h.pie2) = 96085.93 201001.37234
V (pie/s) = 0.43 0.89
Nre = 2413 5049
JH=
hi (BTU/h.pie2.F) = 0 0
ht (BTU/h.pie2.F) = 0 0

Calculo del coeficiente de pelicula en el casco, hs (BTU/lb.h.F)

Calculo del numero de Reynolds

1 2
As (pie) = 0.376 0.376
Gs (Lb/h.pie2) = 26309 26309
Nre 70777.0 70777.0

Calculo del hs

1 2
JH= 110 110
hs (BTU/h.pie2.F) = 903 903

Calculo del coeficiente total limpio

1 2
Uc (BTU/h.pie2.F) = 0.00 0

Calculo del coeficiente total de diseo

1 2
Ud (BTU/h.pie2.F) = #DIV/0! #DIV/0!

Calculo del rea de diseo

1 2
A diseo (pie2) = 608 581

Calculo del rea requerida

1 2
P= 0.0625
R= 15.00
Ft = 0.878 0.878
A req (pie2) = #DIV/0! #DIV/0!

Calculo de la caida de presion en el lado del tubo interior

g' 32.17

1 2
Nre 2413 5049
f=
Pt (psia) = 0.000 0.000
Pr (psia) = 3.396 29.722

PT (psia) = 3.396 29.722

Calculo de la caida de presion en el lado del casco

1 2
Nre 70777 70777
f
Ps (psia) = 0.0000 0.0000
DORES DE CALOR
Autor: Monja Lopez Osmar
los Fluidos

H2O
90
77962.5
85
95
1
0.85
0.358 https://converter.eu/thermal_conductivity/#0.045097726627_BTU/Hour-Foot-F_in_Watt/Me
62.4
0.001
1

co

BTU/h

uerida

lb/h

tracorriente)

s Tubos.

di (pulg) Xw (pulg) a't (pulg^2)


0.62 0.07 0.30

dos

rcambiador de Casco y Tubo

4 8
348 336
21 21
13 12.75

n el lado de los tubos: ht

Reynolds

4 8
0.182 0.088
427416.7 885363.19
1.90 3.94 > 2pie/seg
10736 22238.10
110.00
0 1365
0 1128.53

el casco, hs (BTU/lb.h.F)

Reynolds

4 8
0.376 0.376
26308.65 26308.65
70777.0 41522.5

4 8
110 110
903 39.35

otal limpio

4 8
0 38.02

tal de diseo

4 8
#DIV/0! 35.33

diseo

4 8
547 527.79

querida

4 8
0.0625
15.00
0.878 0.878
#DIV/0! 486.11 Si cumple

lado del tubo interior

4 8
10736 22238.10
0.0040
0.000 22214.689
268.786 2306.620

268.786 24521.309

n el lado del casco

4 8
70777 41522

0.0000 0.0000
Autor: Monja Lopez O

97726627_BTU/Hour-Foot-F_in_Watt/Meter-K

alt (pie^2/pie) de (pulg) do/di L (pie) Pt


0.19635 0.94 1.21 8 0.94
de - "Carcasa"
0.55
Autor: Monja Lopez Osmar

C L/D
0.19 154.8387097
Autor: Monja Lopez Osmar
CAPACIDADES CALORIFICAS DE LIQUIDOS

CP = A + BT + CT2 [J/mol K]
Rango: TN a TX [K]

T= 50 C <---- Ingrese temperatura


No. = 1 <---- Ingrese No. de Sustancia

Sustancia = CCL4 CARBON-TETRACHLORIDE

A B C
Constantes = 139.7338 -0.2045 0.000587 Tmin
Valor Calculado: Cp = 134.93 J/mol K -23.15

Ref.: - Yaws, Chem.Eng. Abril 1992, p. 130


- Himmelblau, 6a. ed.

PM Constantes CP
No. No./ Frmula Nombre [kg/kmol] A B C
1 CCL4 CARBON-TETRACHLORIDE 153.823 139.7338 -0.2045 5.87E-04
2 CCL3F TRICHLOROFLUOROMETHANE 137.368 111.6071 -0.036574 2.37E-04
3 CCL2F2 DICHLORODIFLUOROMETHANE 120.913 97.75903 -2.94E-02 3.01E-04
4 CCLF3 CHLOROTRIFLUOROMETHANE 104.459 88.98669 -3.48E-02 4.40E-04
5 CF4 CARBON-TETRAFLUORIDE 88.005 86.44433 -0.076117 8.45E-04
6 CO CARBON-MONOXIDE 28.010 61.53487 -0.176969 2.05E-03
7 CO2 CARBON-DIOXIDE 44.010 98.63061 -0.294153 9.33E-04
8 COS CARBONYL-SULFIDE 60.070 71.81666 -2.95E-02 2.38E-04
9 CS2 CARBON-DISULFIDE 76.131 68.39258 -4.57E-02 2.43E-04
10 CHCL3 CHLOROFORM 119.377 110.5378 -0.121567 4.41E-04
11 CHCL2F DICHLOROFLUOROMETHANE 102.923 98.07049 -2.61E-02 2.22E-04
12 CHCLF2 CHLORODIFLUOROMETHANE 86.469 85.63914 -2.90E-02 2.95E-04
13 CHF3 TRIFLUOROMETHANE 70.014 79.87337 -5.37E-02 4.71E-04
14 CHI3 TRIIODOMETHANE 393.732 194.6557 -0.091508 1.86E-04
15 CHNS ISOTHIOCYANIC-ACID 59.086
16 CH2CL2 DICHLOROMETHANE 84.933 117.1086 -0.149637 6.16E-04
17 CH2CLF CHLOROFLUOROMETHANE 68.478 86.91451 -3.60E-02 2.66E-04
18 CH2F2 DIFLUOROMETHANE 52.024 70.30925 -2.51E-02 2.87E-04
19 CH2I2 DIIODOMETHANE 267.835 185.3474 -0.180553 4.69E-04
20 CH2O FORMALDEHYDE 30.026 77.73247 -5.67E-02 3.24E-04
21 CH2O2 FORMIC-ACID 46.026 133.4323 -0.347511 7.86E-04
22 CH3BR BROMOMETHANE 94.939 101.7486 -4.60E-02 2.50E-04
23 CH3CL CHLOROMETHANE 50.488 72.76645 -4.40E-02 2.29E-04
24 CH3F FLUOROMETHANE 34.033 64.32159 -5.29E-02 3.65E-04
25 CH3I IODOMETHANE 141.939 114.0235 -0.165981 5.81E-04
26 CH3NO2 NITROMETHANE 61.040 114.6402 -0.174907 4.96E-04
27 CH3NO2 METHYL-NITRITE 61.040
28 CH3NO3 METHYL-NITRATE 77.040
29 CH4 METHANE 16.043 54.87106 -9.47E-02 8.59E-04
30 CH4O METHANOL 32.042 74.86274 -0.102315 4.07E-04
31 CH4S METHANETHIOL 48.103 82.76998 -2.22E-02 1.75E-04
32 CH5N METHYLAMINE 31.057 97.01632 -7.24E-02 3.49E-04
33 C2CL4 TETRACHLOROETHENE 165.834 145.6195 -0.179537 5.12E-04
34 C2CL6 HEXACHLOROETHANE 236.740
35 C2CL3F3 112TRICHLOROTRIFLUOROETHAN 187.376 189.2332 -0.366073 1.07E-03
36 C2CL2F4 12DICHLOROTETRAFLUOROETHA 170.921 161.6632 -0.104512 5.07E-04
37 C2CLF5 CHLOROPENTAFLUOROETHANE 154.467
38 C2F4 TETRAFLUOROETHENE 100.015
39 C2F6 HEXAFLUOROETHANE 138.012 139.8775 -0.265002 1.13E-03
40 C2N2 CYANOGEN 52.035
41 C2HCL3 TRICHLOROETHENE 131.388 143.1514 -0.127892 5.22E-04
42 C2HCL5 PENTACHLOROETHANE 202.294 169.0124 -0.1664 4.94E-04
43 C2HF3 TRIFLUOROETHENE 82.025 70.46147 -1.73E-02 2.45E-04
44 C2H2 ACETYLENE(ETHYNE) 26.038
45 C2H2CL2 1,1-DICHLOROETHENE 96.944 108.4602 -0.11568 5.64E-04
46 C2H2CL2 CIS-1,2-DICHLOROETHENE 96.944 83.08283 -9.75E-02 3.75E-04
47 C2H2CL2 TRANS-1,2-DICHLOROETHENE 96.944 87.52022 -0.139467 4.47E-04
48 C2H2CL4 1,1,2,2-TETRACHLOROETHANE 167.849 149.8382 -0.198696 5.67E-04
49 C2H2F2 1,1-DIFLUOROETHENE 64.035 61.54249 -5.21E-02 3.64E-04
50 C2H2F2 CIS-1,2-DIFLUOROETHENE 64.035 79.3938 -2.22E-02 2.54E-04
51 C2H2F2 TRANS-1,2-DIFLUOROETHENE 64.035 79.3938 -2.22E-02 2.54E-04
52 C2H2O KETENE 42.037
53 C2H3BR BROMOETHYLENE 106.949 95.70229 -0.019504 1.91E-04
54 C2H3CL CHLOROETHENE 62.499 69.85845 -1.62E-02 1.77E-04
55 C2H3CL3 1,1,2-TRICHLOROETHANE 133.404 148.9297 -0.175179 5.36E-04
56 C2H3CLO ACETYL-CHLORIDE 78.498 102.9433 -0.09158 4.46E-04
57 C2H3F FLUOROETHENE 46.044 48.64886 -3.14E-02 2.32E-04
58 C2H3F3 1,1,1-TRIFLUOROETHANE 84.041 77.70468 -8.02E-02 4.07E-04
59 C2H3N ACETONITRILE 41.052 96.79542 -0.193776 5.60E-04
60 C2H4 ETHYLENE 28.054 62.89727 -3.80E-02 3.79E-04
61 C2H4BR2 1,2-DIBROMOETHANE 187.861 146.2965 -0.144732 3.84E-04
62 C2H4CL2 1,1-DICHLOROETHANE 98.960 117.1937 -0.114104 4.97E-04
63 C2H4CL2 1,2-DICHLOROETHANE 98.960 130.2376 -0.177718 5.39E-04
64 C2H4F2 1,1-DIFLUOROETHANE 66.050 83.2697 -5.50E-02 3.17E-04
65 C2H4I2 1,2-DIIODOETHANE 281.862 186.357 -9.34E-02 2.15E-04
66 C2H4O ETHYLENE-OXIDE 44.053 79.81366 -2.75E-02 1.82E-04
67 C2H4O ACETALDEHYDE 44.053 54.6987 -2.21E-02 1.48E-04
68 C2H4O2 ACETIC-ACID 60.052 155.4802 -0.326595 7.44E-04
69 C2H4O2 METHYL-FORMATE 60.052
70 C2H4OS THIOACETIC-ACID 76.113
71 C2H4S THIACYCLOPROPANE 60.114 81.29564 -8.17E-02 3.71E-04
72 C2H5BR BROMOETHANE 108.965 89.6772 -5.96E-02 3.32E-04
73 C2H5CL CHLOROETHANE 64.514 95.86747 -2.27E-02 2.03E-04
74 C2H5F FLUOROETHANE 48.060 77.39183 -3.34E-02 2.67E-04
75 C2H5I IODOETHANE 155.966 116.5589 -0.101416 4.70E-04
76 C2H5N ETHYLENIMINE 43.068 104.1616 -0.158061 5.68E-04
77 C2H5NO2 NITROETHANE 75.067
78 C2H5NO3 ETHYL-NITRATE 91.066
79 C2H6 ETHANE 30.069 66.3402 -2.09E-02 3.04E-04
80 C2H6O METHYL-ETHER 46.069 95.20254 -0.02866 2.50E-04
81 C2H6O ETHYL-ALCOHOL 46.069 100.922 -0.111839 4.99E-04
82 C2H6O2 ETHYLENE-GLYCOL 62.068 153.0029 -0.114819 3.32E-04
83 C2H6S METHYL-SULFIDE 62.129 106.7474 -0.116326 5.08E-04
84 C2H6S ETHANETHIOL 62.129 99.36189 -0.06302 4.26E-04
85 C2H6S2 METHYL-DISULFIDE 94.189 138.1671 -0.107053 4.40E-04
86 C2H7N ETHYLAMINE 45.084 122.6822 -6.93E-02 3.23E-04
87 C2H7N DIMETHYLAMINE 45.084 129.4855 -7.80E-02 3.85E-04
88 C3H3N ACRYLONITRILE 53.063 106.7761 -0.156184 5.65E-04
89 C3H4 ALLENE(PROPADIENE) 40.065 91.28093 -4.08E-02 3.04E-04
90 C3H4 PROPYNE(METHYLACETYLENE) 40.065 100.2229 -6.37E-02 3.37E-04
91 C3H4O2 ACRYLIC-ACID 72.063 178.0107 -0.303313 7.18E-04
92 C3H5BR 3-BROMO-1-PROPENE 120.976 113.8498 -7.99E-02 4.20E-04
93 C3H5CL 3-CHLORO-1-PROPENE 76.525 101.2799 -7.59E-02 4.41E-04
94 C3H5CL3 1,2,3-TRICHLOROPROPANE 147.431 191.8314 -0.224638 6.13E-04
95 C3H5I 3-IODO-1-PROPENE 167.977 130.12 -0.102528 4.51E-04
96 C3H5N PROPIONITRILE 55.079 141.6414 -0.179313 6.79E-04
97 C3H6 PROPENE 42.080 82.1637 -1.28E-02 2.50E-04
98 C3H6 CYCLOPROPANE 42.080 76.03351 -0.033698 2.38E-04
99 C3H6BR2 1,2-DIBROMOPROPANE 201.888 157.7165 -0.10292 3.79E-04
100 C3H6CL2 1,2-DICHLOROPROPANE 112.986 143.738 -0.15408 6.28E-04
101 C3H6CL2 1,3-DICHLOROPROPANE 112.986 137.7914 -0.11419 4.84E-04
102 C3H6CL2 2,2-DICHLOROPROPANE 112.986 133.5484 -0.203207 6.07E-04
103 C3H6I2 1,2-DIIODOPROPANE 295.889 196.4658 -0.145651 4.21E-04
104 C3H6O PROPYLENE-OXIDE 58.080 113.0834 -0.150854 6.73E-04
105 C3H6O ALLYL-ALCOHOL 58.080 107.3626 -9.01E-02 4.56E-04
106 C3H6O PROPIONALDEHYDE 58.080 123.74 -0.153727 5.91E-04
107 C3H6O ACETONE 58.080 117.8108 -0.159245 6.34E-04
108 C3H6S THIACYCLOBUTANE 74.140 109.2008 -0.111822 4.12E-04
109 C3H7BR 1-BROMOPROPANE 122.992 127.8446 -9.82E-02 4.78E-04
110 C3H7BR 2-BROMOPROPANE 122.992 114.7829 -0.110824 4.65E-04
111 C3H7CL 1-CHLOROPROPANE 78.541 116.3806 -9.68E-02 5.10E-04
112 C3H7CL 2-CHLOROPROPANE 78.541 99.73264 -9.47E-02 4.74E-04
113 C3H7F 1-FLUOROPROPANE 62.087 87.49543 -1.99E-02 2.24E-04
114 C3H7F 2-FLUOROPROPANE 62.087 87.22685 -3.38E-02 2.52E-04
115 C3H7I 1-IODOPROPANE 169.992 129.9818 -0.101429 4.51E-04
116 C3H7I 2-IODOPROPANE 169.992 126.7354 -0.112013 4.65E-04
117 C3H7NO2 1-NITROPROPANE 89.094
118 C3H7NO2 2-NITROPROPANE 89.094
119 C3H7NO3 PROPYL-NITRATE 105.093
120 C3H7NO3 ISOPROPYL-NITRATE 105.093
121 C3H8 PROPANE 44.096 87.31411 -1.24E-02 2.59E-04
122 C3H8O ETHYL-METHYL-ETHER 60.096 123.0474 -3.60E-02 3.03E-04
123 C3H8O PROPYL-ALCOHOL 60.096 119.3875 -0.100208 5.01E-04
124 C3H8O ISOPROPYL-ALCOHOL 60.096 146.1573 -0.192824 7.30E-04
125 C3H8S ETHYL-METHYL-SULFIDE 76.156 131.5528 -0.121917 5.55E-04
126 C3H8S 1-PROPANETHIOL 76.156 129.5992 -0.100511 4.99E-04
127 C3H8S 2-PROPANETHIOL 76.156 126.6698 -8.97E-02 5.13E-04
128 C3H9N PROPYLAMINE 59.111 158.0876 -0.2067 7.95E-04
129 C3H9N TRIMETHYLAMINE 59.111 121.1725 -4.68E-02 3.04E-04
130 C4F8 OCTAFLUOROCYCLOBUTANE 200.031 220.3123 -0.332586 1.05E-03
131 C4H2 BUTADIYNE(BIACETYLENE) 50.060
132 C4H4 1BUTEN3YNE(VINYLACETYLENE) 52.076
133 C4H4O FURAN 68.075 107.4003 -0.130643 5.28E-04
134 C4H4S THIOPHENE 84.136 127.2085 -0.158078 4.93E-04
135 C4H6 1,2-BUTADIENE 54.091 119.747 -3.52E-02 2.88E-04
136 C4H6 1,3-BUTADIENE 54.091 113.862 -5.66E-02 3.28E-04
137 C4H6 1-BUTYNE(ETHYLACETYLENE) 54.091 119.8088 -3.29E-02 2.60E-04
138 C4H6 2-BUTYNE(DIMETHYLACETYLENE) 54.091 158.9053 -0.306452 8.88E-04
139 C4H6 CYCLOBUTENE 54.091 72.56911 -2.48E-02 1.72E-04
140 C4H6O3 ACETIC-ANHYDRIDE 102.089 182.4041 -0.201667 7.11E-04
141 C4H7N BUTYRONITRILE 69.106 133.2964 -0.122428 5.37E-04
142 C4H7N ISOBUTYRONITRILE 69.106 128.0073 -0.166514 5.72E-04
143 C4H8 1-BUTENE 56.107 103.2326 -9.50E-03 2.34E-04
144 C4H8 2-BUTENE,CIS 56.107 111.0482 -3.30E-02 2.76E-04
145 C4H8 2-BUTENE,TRANS 56.107 112.708 -0.056768 3.18E-04
146 C4H8 2-METHYLPROPENE 56.107 113.1346 -0.036151 3.01E-04
147 C4H8 CYCLOBUTANE 56.107 99.08068 -4.45E-02 2.34E-04
148 C4H8BR2 1,2-DIBROMOBUTANE 215.915 161.1101 -9.14E-02 3.55E-04
149 C4H8BR2 2,3-DIBROMOBUTANE 215.915 164.727 -0.118608 3.86E-04
150 C4H8I2 1,2-DIIODOBUTANE 309.916 194.1194 -0.180467 4.67E-04
151 C4H8O BUTYRALDEHYDE 72.107 146.5049 -0.142105 6.04E-04
152 C4H8O 2-BUTANONE 72.107 150.1966 -0.17481 6.76E-04
153 C4H8O2 P-DIOXANE 88.106
154 C4H8O2 ETHYL-ACETATE 88.106 162.9878 -0.207054 7.77E-04
155 C4H8S THIACYCLOPENTANE 88.167 130.8822 -9.51E-02 4.11E-04
156 C4H9BR 1-BROMOBUTANE 137.019 162.0561 -0.106133 5.26E-04
157 C4H9BR 2-BROMOBUTANE 137.019 123.6349 -8.34E-02 4.15E-04
158 C4H9BR 2-BROMO-2-METHYLPROPANE 137.019 138.7352 -0.205484 5.76E-04
159 C4H9CL 1-CHLOROBUTANE 92.568 116.3484 -9.28E-02 4.72E-04
160 C4H9CL 2-CHLOROBUTANE 92.568 110.9378 -7.86E-02 4.41E-04
161 C4H9CL 1-CHLORO-2-METHYLPROPANE 92.568 111.2874 -8.63E-02 4.67E-04
162 C4H9CL 2-CHLORO-2-METHYLPROPANE 92.568 131.2157 -0.245518 6.92E-04
163 C4H9I 2-IODO-2-METHYLPROPANE 184.019 142.7281 -0.168372 5.24E-04
164 C4H9N PYRROLIDINE 71.122 152.5666 -0.143647 5.19E-04
165 C4H9NO2 1-NITROBUTANE 103.120
166 C4H9NO2 2-NITROBUTANE 103.120
167 C4H10 BUTANE 58.123 120.0291 -3.78E-02 3.09E-04
168 C4H10 2-METHYLPROPANE(ISOBUTANE) 58.123 114.874 -2.63E-02 2.97E-04
169 C4H10O ETHYL-ETHER 74.122 152.2542 -0.183636 8.60E-04
170 C4H10O METHYL-PROPYL-ETHER 74.122 144.4045 -0.163912 7.75E-04
171 C4H10O METHYL-ISOPROPYL-ETHER 74.122 141.8667 -0.165266 7.85E-04
172 C4H10O BUTYL-ALCOHOL 74.122 162.6767 -0.141214 6.23E-04
173 C4H10O SEC-BUTYL-ALCOHOL 74.122 182.6186 -0.171806 7.83E-04
174 C4H10O TERT-BUTYL-ALCOHOL 74.122 248.6719 -0.295972 7.25E-04
175 C4H10S ETHYLSULFIDE 90.183 157.394 -0.12864 5.81E-04
176 C4H10S ISOPROPYL-METHYL-SULFIDE 90.183 150.789 -0.130866 5.80E-04
177 C4H10S METHYL-PROPYL-SULFIDE 90.183 159.495 -0.120917 5.80E-04
178 C4H10S 1-BUTANETHIOL 90.183 156.0201 -0.104689 5.26E-04
179 C4H10S 2-BUTANETHIOL 90.183 149.8146 -8.03E-02 5.07E-04
180 C4H10S 2-METHYL-1-PROPANETHIOL 90.183 150.0248 -7.51E-02 4.96E-04
181 C4H10S 2-METHYL-2-PROPANETHIOL 90.183 203.4529 -0.385527 9.75E-04
182 C4H10S2 ETHYL-DISULFIDE 122.243 190.3945 -0.108326 4.99E-04
183 C4H11N BUTYLAMINE 73.138 199.6609 -0.291162 9.23E-04
184 C4H11N SEC-BUTYLAMINE 73.138 170.6339 -0.194429 7.67E-04
185 C4H11N TERT-BUTYLAMINE 73.138 157.2374 -0.232101 8.34E-04
186 C4H11N DIETHYLAMINE 73.138 179.3763 -0.305907 9.63E-04
187 C5H5N PYRIDINE 79.101 147.6396 -0.141253 4.60E-04
188 C5H6S 2-METHYLTHIOPHENE 98.162 141.5368 -0.12849 4.62E-04
189 C5H6S 3-METHYLTHIOPHENE 98.162 140.3606 -0.120846 4.49E-04
190 C5H8 1,2-PENTADIENE 68.118 139.9823 -0.10414 6.16E-04
191 C5H8 1,3-PENTADIENE,CIS 68.118 149.8778 -0.190399 7.58E-04
192 C5H8 1,3-PENTADIENE,TRANS 68.118 152.0914 -0.20019 7.89E-04
193 C5H8 1,4-PENTADIENE 68.118 120.6581 -9.19E-02 5.96E-04
194 C5H8 2,3-PENTADIENE 68.118 145.5565 -0.120435 6.43E-04
195 C5H8 3-METHYL-1,2-BUTADIENE 68.118 141.5091 -0.141993 6.81E-04
196 C5H8 2-METHYL-1,3-BUTADIENE 68.118 127.0137 -0.107643 6.55E-04
197 C5H8 1-PENTYNE 68.118 142.98 -0.150049 6.84E-04
198 C5H8 2-PENTYNE 68.118 156.8017 -0.1406 6.66E-04
199 C5H8 3-METHYL-1-BUTYNE 68.118 134.9212 -0.166645 6.88E-04
200 C5H8 CYCLOPENTENE 68.118 103.1864 -7.42E-02 4.39E-04
201 C5H8 SPIROPENTANE 68.118 112.0773 -0.098977 4.77E-04
202 C5H10 1-PENTENE 70.134 124.7965 -7.83E-02 6.03E-04
203 C5H10 2-PENTENE,CIS 70.134 127.2634 -9.20E-02 6.10E-04
204 C5H10 2-PENTENE,TRANS 70.134 129.2951 -0.110358 6.48E-04
205 C5H10 2-METHYL-1-BUTENE 70.134 132.8531 -0.117965 6.79E-04
206 C5H10 3-METHYL-1-BUTENE 70.134 136.8813 -1.74E-02 2.73E-04
207 C5H10 2-METHYL-2-BUTENE 70.134 130.2604 -0.121847 6.68E-04
208 C5H10 CYCLOPENTANE 70.134 116.2369 -0.12205 5.20E-04
209 C5H10BR2 2,3-DIBROMO-2-METHYLBUTANE 229.942 180.6011 -0.170993 4.39E-04
210 C5H10O VALERALDEHYDE 86.133 172.299 -0.174832 6.95E-04
211 C5H10O 2-PENTANONE 86.133 178.4802 -0.214575 7.70E-04
212 C5H10S THIACYCLOHEXANE 102.194 184.4118 -0.244782 5.92E-04
213 C5H10S CYCLOPENTANETHIOL 102.194 143.2029 -7.26E-02 3.85E-04
214 C5H11BR 1-BROMOPENTANE 151.045 143.4135 -0.11807 4.78E-04
215 C5H11CL 1-CHLOROPENTANE 106.594 132.5936 -0.130476 5.40E-04
216 C5H11CL 1-CHLORO-3-METHYLBUTANE 106.594 127.9112 -0.112488 4.95E-04
217 C5H11CL 2-CHLORO-2-METHYLBUTANE 106.594 129.3675 -0.1476 5.39E-04
218 C5H12 PENTANE 72.150 143.6066 -0.144766 7.62E-04
219 C5H12 2-METHYLBUTANE(ISOPENTANE) 72.150 132.3586 -9.54E-02 6.79E-04
220 C5H12 2,2-DIMETHYPROPANE 72.150 149.7929 -0.20549 5.80E-04
221 C5H12O METHYL-TERT-BUTYL-ETHER 88.149 162.0418 -0.173412 7.83E-04
222 C5H12O PENTYL-ALCOHOL 88.149 190.6768 -0.189225 6.91E-04
223 C5H12O TERT-PENTYL-ALCOHOL 88.149 239.6828 -0.253425 5.69E-04
224 C5H12S BUTYL-METHYL-SULFIDE 104.209 187.2402 -0.147804 6.31E-04
225 C5H12S ETHYL-PROPYL-SULFIDE 104.209 180.3185 -0.121054 5.97E-04
226 C5H12S 2-METHYL-2-BUTANETHIOL 104.209 165.3722 -0.120061 5.55E-04
227 C5H12S 1-PENTANETHIOL 104.209 193.9695 -0.163785 6.21E-04
228 C6CL6 HEXACHLOROBENZENE 284.784
229 C6F6 HEXAFLUOROBENZENE 186.056
230 C6H4CL2 O-DICHLOROBENZENE 147.003 176.0924 -0.150366 4.36E-04
231 C6H4CL2 M-DICHLOROBENZENE 147.003 174.5062 -0.160392 4.70E-04
232 C6H4CL2 P-DICHLOROBENZENE 147.003 175.3994 -9.29E-02 2.33E-04
233 C6H4F2 M-DIFLUOROBENZENE 114.094 146.2047 -0.227601 6.42E-04
234 C6H4F2 O-DIFLUOROBENZENE 114.094 143.058 -0.208584 6.17E-04
235 C6H4F2 P-DIFLUOROBENZENE 114.094 149.0895 -0.242359 6.53E-04
236 C6H5BR BROMOBENZENE 157.009 158.5244 -0.144351 4.40E-04
237 C6H5CL CHLOROBENZENE 112.558 150.4141 -0.142546 4.64E-04
238 C6H5F FLUOROBENZENE 96.104 151.1213 -0.205386 6.31E-04
239 C6H5I IODOBENZENE 204.010 160.6757 -0.119998 3.73E-04
240 C6H6 BENZENE 78.113 155.6259 -0.271051 6.75E-04
241 C6H6O PHENOL 94.113 207.4793 -0.103749 2.74E-04
242 C6H6S BENZENETHIOL 110.173 182.678 -0.160403 4.62E-04
243 C6H7N 2-PICOLINE 93.128 153.402 -0.113465 4.27E-04
244 C6H7N 3-PICOLINE 93.128 165.9333 -0.173861 4.97E-04
245 C6H7N ANILINE 93.128 206.272 -0.211507 5.64E-04
246 C6H10 1-HEXYNE 82.145 166.3153 -0.111773 6.36E-04
247 C6H10 CYCLOHEXENE 82.145 133.8624 -0.105987 4.87E-04
248 C6H10 1-METHYLCYCLOPENTENE 82.145 130.3197 -8.92E-02 4.88E-04
249 C6H10 3-METHYLCYCLOPENTENE 82.145 122.0813 -7.34E-02 4.63E-04
250 C6H10 4-METHYLCYCLOPENTENE 82.145 124.4117 -5.87E-02 4.48E-04
251 C6H10O CYCLOHEXANONE 98.144
252 C6H12 1-HEXENE 84.161 157.713 -0.115777 6.79E-04
253 C6H12 2-HEXENE,CIS 84.161 166.9178 -0.114475 6.86E-04
254 C6H12 2-HEXENE,TRANS 84.161 167.786 -0.127277 7.07E-04
255 C6H12 3-HEXENE,CIS 84.161 165.421 -0.117915 6.87E-04
256 C6H12 3-HEXENE,TRANS 84.161 172.2807 -0.163916 7.68E-04
257 C6H12 2-METHYL-1-PENTENE 84.161 161.6497 -0.121605 6.94E-04
258 C6H12 3-METHYL-1-PENTENE 84.161 150.3967 -9.59E-02 6.50E-04
259 C6H12 4-METHYL-1-PENTENE 84.161 149.9779 -0.095144 6.49E-04
260 C6H12 2-METHYL-2-PENTENE 84.161 166.9413 -0.122238 6.94E-04
261 C6H12 3-METHYL-2-PENTENE,CIS 84.161 152.1068 -0.111704 6.33E-04
262 C6H12 3-METHYL-2-PENTENE,TRANS 84.161 151.5567 -0.105569 6.18E-04
263 C6H12 4-METHYL-2-PENTENE,CIS 84.161 156.0824 -0.1354 7.41E-04
264 C6H12 4-METHYL-2-PENTENE,TRANS 84.161 156.3821 -0.123496 7.22E-04
265 C6H12 2-ETHYL-1-BUTENE 84.161 165.1132 -0.129086 7.08E-04
266 C6H12 2,3-DIMETHYL-1-BUTENE 84.161 150.8481 -9.16E-02 6.47E-04
267 C6H12 3,3-DIMETHYL-1-BUTENE 84.161 147.298 -0.149003 7.19E-04
268 C6H12 2,3-DIMETHYL-2-BUTENE 84.161 191.5076 -0.238163 8.67E-04
269 C6H12 CYCLOHEXANE 84.161 178.9841 -0.321567 7.97E-04
270 C6H12 METHYLCYCLOPENTANE 84.161 137.2329 -8.29E-02 5.19E-04
271 C6H12O CYCLOHEXANOL 100.160
272 C6H12O HEXANAL 100.160 214.4491 -0.258752 8.34E-04
273 C6H12S THIACYCLOHEPTANE 116.220 202.7318 -0.219395 5.53E-04
274 C6H14 HEXANE 86.177 181.7722 -0.215501 8.76E-04
275 C6H14 2-METHYLPENTANE 86.177 162.646 -0.108721 7.21E-04
276 C6H14 3-METHYLPENTANE 86.177 169.6343 -0.15779 7.68E-04
277 C6H14 2,2-DIMETHYLBUTANE 86.177 167.8527 -0.200523 8.50E-04
278 C6H14 2,3-DIMETHYLBUTANE 86.177 160.7212 -0.139457 7.36E-04
279 C6H14O PROPYL-ETHER 102.176 192.8795 -0.157205 7.84E-04
280 C6H14O ISOPROPYL-ETHER 102.176 183.4485 -0.249749 9.41E-04
281 C6H14O HEXYL-ALCOHOL 102.176 240.2844 -0.273782 8.34E-04
282 C6H14S BUTYL-ETHYL-SULFIDE 118.236 219.6956 -0.167158 6.96E-04
283 C6H14S ISOPROPYL-SULFIDE 118.236 188.8548 -0.139208 6.22E-04
284 C6H14S METHYL-PENTYL-SULFIDE 118.236 200.4453 -0.158112 6.61E-04
285 C6H14S PROPYL-SULFIDE 118.236 209.7997 -0.147755 6.52E-04
286 C6H14S 1-HEXANETHIOL 118.236 234.4285 -0.182565 7.03E-04
287 C6H14S2 PROPYL-DISULFIDE 150.296 240.4063 -0.14485 5.88E-04
288 C6H15N TRIETHYLAMINE 101.191 188.3567 -0.161163 7.62E-04
289 C7H5F3 A,A,A-TRIFLUOROTOLUENE 146.111 148.1865 -0.206274 5.99E-04
290 C7H5N BENZONITRILE 103.123
291 C7H6O2 BENZOIC-ACID 122.123 282.6829 -0.18248 3.51E-04
292 C7H7F P-FLUOROTOLUENE 110.130 145.6576 -0.158125 5.28E-04
293 C7H8 TOLUENE 92.140 147.0419 -0.114054 4.90E-04
294 C7H8 1,3,5-CYCLOHEPTATRIENE 92.140 183.1835 -0.161546 6.23E-04
295 C7H8O M-CRESOL 108.139 250.4301 -0.295391 7.14E-04
296 C7H8O O-CRESOL 108.139 239.2767 -0.112153 3.08E-04
297 C7H8O P-CRESOL 108.139 233.8168 -0.109048 2.94E-04
298 C7H12 1-HEPTYNE 96.172 210.2149 -0.205483 7.91E-04
299 C7H14 1-HEPTENE 98.188 190.3995 -0.146978 7.28E-04
300 C7H14 CYCLOHEPTANE 98.188 227.5194 -0.306924 8.23E-04
301 C7H14 ETHYLCYCLOPENTANE 98.188 163.7651 -9.18E-02 5.49E-04
302 C7H14 1,1-DIMETHYLCYCLOPENTANE 98.188 180.7567 -0.204724 7.35E-04
303 C7H14 C-1,2-DIMETHYLCYCLOPENTANE 98.188 188.3135 -0.224256 7.39E-04
304 C7H14 T-1,2-DIMETHYLCYCLOPENTANE 98.188 169.3445 -0.126559 6.27E-04
305 C7H14 C-1,3-DIMETHYLCYCLOPENTANE 98.188 166.2584 -0.106134 6.03E-04
306 C7H14 T-1,3-DIMETHYLCYCLOPENTANE 98.188 166.397 -0.104868 5.98E-04
307 C7H14 METHYLCYCLOHEXANE 98.188 163.1495 -0.105482 5.65E-04
308 C7H14O HEPTANAL 114.187 246.725 -0.257434 7.97E-04
309 C7H16 HEPTANE 100.203 211.9577 -0.229934 9.03E-04
310 C7H16 2-METHYLHEXANE 100.203 198.0114 -0.175795 8.38E-04
311 C7H16 3-METHYLHEXANE 100.203 181.713 -8.48E-02 6.96E-04
312 C7H16 3-ETHYLPENTANE 100.203 197.1591 -0.15949 7.77E-04
313 C7H16 2,2-DIMETHYLPENTANE 100.203 195.8654 -0.167438 8.41E-04
314 C7H16 2,3-DIMETHYLPENTANE 100.203 194.0977 -0.161454 8.04E-04
315 C7H16 2,4-DIMETHYLPENTANE 100.203 200.1237 -0.180992 8.72E-04
316 C7H16 3,3-DIMETHYLPENTANE 100.203 188.2161 -0.126888 7.18E-04
317 C7H16 2,2,3-TRIMETHYLBUTANE 100.203 232.6126 -0.401595 1.12E-03
318 C7H16O ISOPROPYL-TERT-BUTYL-ETHER 116.202 218.4087 -0.209055 8.57E-04
319 C7H16O HEPTYL-ALCOHOL 116.202 240.5662 -0.268582 7.80E-04
320 C7H16S BUTYL-PROPYL-SULFIDE 132.263 263.2021 -0.215379 7.58E-04
321 C7H16S ETHYL-PENTYL-SULFIDE 132.263 264.0038 -0.232336 8.05E-04
322 C7H16S HEXYL-METHYL-SULFIDE 132.263 264.0038 -0.232336 8.05E-04
323 C7H16S 1-HEPTANETHIOL 132.263 281.2272 -0.272182 8.41E-04
324 C8H6 ETHYNYLBENZENE 102.135 183.3717 -0.168062 5.16E-04
325 C8H8 STYRENE 104.151 184.566 -0.214932 6.26E-04
326 C8H8 1,3,5,7-CYCLOOCTATETRAENE 104.151 236.5127 -0.270924 7.35E-04
327 C8H10 ETHYLBENZENE 106.167 172.1628 -0.121182 5.19E-04
328 C8H10 M-XYLENE 106.167 185.1319 -0.193865 6.18E-04
329 C8H10 O-XYLENE 106.167 196.5503 -0.221792 6.39E-04
330 C8H10 P-XYLENE 106.167 210.6075 -0.31537 7.63E-04
331 C8H14 1-OCTYNE 110.198 241.3442 -0.222052 8.38E-04
332 C8H16 1-OCTENE 112.214 222.6086 -0.173861 7.63E-04
333 C8H16 CYCLOOCTANE 112.214 277.9401 -0.352051 8.68E-04
334 C8H16 PROPYLCYCLOPENTANE 112.214 204.1291 -0.140074 6.75E-04
335 C8H16 ETHYLCYCLOHEXANE 112.214 206.7234 -0.129358 6.23E-04
336 C8H16 1,1-DIMETHYLCYCLOHEXANE 112.214 218.3105 -0.267156 7.96E-04
337 C8H16 C-1,2-DIMETHYLCYCLOHEXANE 112.214 223.4466 -0.230512 7.50E-04
338 C8H16 T-1,2-DIMETHYLCYCLOHEXANE 112.214 203.4328 -0.165023 6.69E-04
339 C8H16 C-1,3-DIMETHYLCYCLOHEXANE 112.214 203.2965 -0.186023 6.95E-04
340 C8H16 T-1,3-DIMETHYLCYCLOHEXANE 112.214 204.2638 -0.175779 7.06E-04
341 C8H16 C-1,4-DIMETHYLCYCLOHEXANE 112.214 204.5866 -0.165259 6.68E-04
342 C8H16 T-1,4-DIMETHYLCYCLOHEXANE 112.214 216.9083 -0.264051 7.98E-04
343 C8H16O OCTANAL 128.213 285.2043 -0.357029 9.94E-04
344 C8H18 OCTANE 114.230 256.3503 -0.322165 1.04E-03
345 C8H18 2-METHYLHEPTANE 114.230 230.5234 -0.196661 8.78E-04
346 C8H18 3-METHYLHEPTANE 114.230 224.9884 -0.178558 8.57E-04
347 C8H18 4-METHYLHEPTANE 114.230 226.1179 -0.173065 8.44E-04
348 C8H18 3-ETHYLHEXANE 114.230 224.2009 -0.175115 8.46E-04
349 C8H18 2,2-DIMETHYLHEXANE 114.230 211.1269 -0.165124 8.12E-04
350 C8H18 2,3-DIMETHYLHEXANE 114.230 227.6602 -0.201476 8.57E-04
351 C8H18 2,4-DIMETHYLHEXANE 114.230 220.9961 -0.206292 8.72E-04
352 C8H18 2,5-DIMETHYLHEXANE 114.230 234.8732 -0.243691 9.60E-04
353 C8H18 3,3-DIMETHYLHEXANE 114.230 220.1135 -0.164831 8.34E-04
354 C8H18 3,4-DIMETHYLHEXANE 114.230 223.0233 -0.151506 7.84E-04
355 C8H18 3-ETHYL-2-METHYLPENTANE 114.230 223.0395 -0.180747 8.40E-04
356 C8H18 3-ETHYL-3-METHYLPENTANE 114.230 234.234 -0.209413 8.44E-04
357 C8H18 2,2,3-TRIMETHYLPENTANE 114.230 217.7465 -0.182793 8.35E-04
358 C8H18 2,2,4-TRIMETHYLPENTANE 114.230 214.6412 -0.193739 8.60E-04
359 C8H18 2,3,3-TRIMETHYLPENTANE 114.230 227.7083 -0.186269 8.06E-04
360 C8H18 2,3,4-TRIMETHYLPENTANE 114.230 226.4869 -0.181947 8.27E-04
361 C8H18 2,2,3,3-TETRAMETHYLBUTANE 114.230 236.6923 -0.185561 8.21E-04
362 C8H18O BUTYL-ETHER 130.229 257.0284 -0.226269 9.31E-04
363 C8H18O SEC-BUTYL-ETHER 130.229 233.6821 -0.207265 8.80E-04
364 C8H18O TERT-BUTYL-ETHER 130.229 232.3202 -0.282122 9.67E-04
365 C8H18O OCTYL-ALCOHOL 130.229 277.0928 -0.326062 8.68E-04
366 C8H18S BUTYL-SULFIDE 146.290 280.893 -0.241293 8.23E-04
367 C8H18S ETHYL-HEXYL-SULFIDE 146.290 298.6565 -0.257971 8.69E-04
368 C8H18S HEPTYL-METHYL-SULFIDE 146.290 298.6565 -0.257971 8.69E-04
369 C8H18S PENTYL-PROPYL-SULFIDE 146.290 298.6565 -0.257971 8.69E-04
370 C8H18S 1-OCTANETHIOL 146.290 309.9801 -0.275976 8.74E-04
371 C8H18S2 BUTY-DISULFIDE 178.350 302.417 -0.197227 7.16E-04
372 C9H10 ALPHA-METHYLSTYRENE 118.178 215.6436 -0.229765 6.53E-04
373 C9H10 PROPENYLBENZENE,CIS 118.178 208.9036 -0.168095 5.83E-04
374 C9H10 PROPENYLBENZENE,TRANS 118.178 219.3515 -0.217669 6.39E-04
375 C9H10 M-METHYLSTYRENE 118.178 199.8579 -0.140843 5.59E-04
376 C9H10 O-METHYLSTYRENE 118.178 208.6835 -0.166977 5.94E-04
377 C9H10 P-METHYLSTYRENE 118.178 217.1665 -0.219312 6.52E-04
378 C9H12 PROPYLBENZENE 120.193 200.0546 -0.128653 5.64E-04
379 C9H12 CUMENE 120.193 196.44 -0.135398 5.75E-04
380 C9H12 M-ETHYLTOLUENE 120.193 200.3633 -0.139135 5.84E-04
381 C9H12 O-ETHYLTOLUENE 120.193 208.9943 -0.153366 5.91E-04
382 C9H12 P-ETHYLTOLUENE 120.193 210.7694 -0.186222 6.38E-04
383 C9H12 1,2,3-TRIMETHYLBENZENE 120.193 225.0839 -0.228954 6.56E-04
384 C9H12 1,2,4-TRIMETHYLBENZENE 120.193 215.054 -0.20882 6.54E-04
385 C9H12 MESITYLENE 120.193 203.9968 -0.201648 6.29E-04
386 C9H16 1-NONYNE 124.225 285.1196 -0.305555 9.68E-04
387 C9H18 1-NONENE 126.241 271.8159 -0.234041 8.93E-04
388 C9H18 BUTYLCYCLOPENTANE 126.241 237.6627 -0.159621 7.21E-04
389 C9H18 PROPYLCYCLOHEXANE 126.241 242.0041 -0.170474 7.11E-04
390 C9H18 C-C-135TRIMETHYLCYCLOHEXAN 126.241 237.2095 -0.275445 8.63E-04
391 C9H18 C-T-135TRIMETHYLCYCLOHEXAN 126.241 226.1846 -0.214979 8.08E-04
392 C9H18O NONANAL 142.240 320.2875 -0.410958 1.05E-03
393 C9H20 NONANE 128.257 288.7963 -0.344804 1.08E-03
394 C9H20 2-METHYLOCTANE 128.257 269.0613 -0.272041 9.95E-04
395 C9H20 3-METHYLOCTANE 128.257 258.9386 -0.208571 9.12E-04
396 C9H20 4-METHYLOCTANE 128.257 254.6125 -0.195501 8.93E-04
397 C9H20 3-ETHYLHEPTANE 128.257 255.3025 -0.195268 8.92E-04
398 C9H20 4-ETHYLHEPTANE 128.257 253.1354 -0.194702 8.90E-04
399 C9H20 2,2-DIMETHYLHEPTANE 128.257 243.0672 -0.191036 8.75E-04
400 C9H20 2,3-DIMETHYLHEPTANE 128.257 252.5374 -0.193541 8.83E-04
401 C9H20 2,4-DIMETHYLHEPTANE 128.257 243.3921 -0.197157 8.94E-04
402 C9H20 2,5-DIMETHYLHEPTANE 128.257 247.0605 -0.194249 8.85E-04
403 C9H20 2,6-DIMETHYLHEPTANE 128.257 249.8704 -0.215943 9.16E-04
404 C9H20 3,3-DIMETHYLHEPTANE 128.257 252.1624 -0.211872 9.00E-04
405 C9H20 3,4-DIMETHYLHEPTANE 128.257 256.4724 -0.212635 9.03E-04
406 C9H20 3,5-DIMETHYLHEPTANE 128.257 250.9171 -0.214966 9.11E-04
407 C9H20 4,4-DIMETHYLHEPTANE 128.257 250.0447 -0.215161 9.10E-04
408 C9H20 3-ETHYL-2-METHYLHEXANE 128.257 249.5951 -0.195538 8.88E-04
409 C9H20 4-ETHYL-2-METHYLHEXANE 128.257 244.5185 -0.196221 8.90E-04
410 C9H20 3-ETHYL-3-METHYLHEXANE 128.257 252.843 -0.188625 8.63E-04
411 C9H20 3-ETHYL-4-METHYLHEXANE 128.257 252.536 -0.192976 8.79E-04
412 C9H20 2,2,3-TRIMETHYLHEXANE 128.257 242.06 -0.171762 8.33E-04
413 C9H20 2,2,4-TRIMETHYLHEXANE 128.257 233.575 -0.177651 8.55E-04
414 C9H20 2,2,5-TRIMETHYLHEXANE 128.257 235.7673 -0.20653 8.94E-04
415 C9H20 2,3,3-TRIMETHYLHEXANE 128.257 248.0557 -0.176185 8.36E-04
416 C9H20 2,3,4-TRIMETHYLHEXANE 128.257 249.6067 -0.179972 8.50E-04
417 C9H20 2,3,5-TRIMETHYLHEXANE 128.257 236.6695 -0.162008 8.32E-04
418 C9H20 2,4,4-TRIMETHYLHEXANE 128.257 240.7875 -0.190495 8.70E-04
419 C9H20 3,3,4-TRIMETHYLHEXANE 128.257 256.9002 -0.202867 8.63E-04
420 C9H20 3,3-DIETHYLPENTANE 128.257 292.8768 -0.373551 1.08E-03
421 C9H20 3-ETHYL-2,2-DIMETHYLPENTANE 128.257 249.6552 -0.211837 8.84E-04
422 C9H20 3-ETHYL-2,3-DIMETHYLPENTANE 128.257 262.6996 -0.207004 8.71E-04
423 C9H20 3-ETHYL-2,4-DIMETHYLPENTANE 128.257 244.9226 -0.17077 8.40E-04
424 C9H20 2,2,3,3-TETRAMETHYLPENTANE 128.257 300.3904 -0.444003 1.16E-03
425 C9H20 2,2,3,4-TETRAMETHYLPENTANE 128.257 241.1466 -0.168151 8.23E-04
426 C9H20 2,2,4,4-TETRAMETHYLPENTANE 128.257 262.4764 -0.299578 1.03E-03
427 C9H20 2,3,3,4-TETRAMETHYLPENTANE 128.257 258.1103 -0.206539 8.76E-04
428 C9H20O NONYL-ALCOHOL 144.256 309.9229 -0.360723 9.20E-04
429 C9H20S BUTYL-PENTYL-SULFIDE 160.317 343.332 -0.327959 9.81E-04
430 C9H20S ETHYL-HEPTYL-SULFIDE 160.317 343.332 -0.327959 9.81E-04
431 C9H20S HEXYL-PROPYL-SULFIDE 160.317 343.332 -0.327959 9.81E-04
432 C9H20S METHYL-OCTYL-SULFIDE 160.317 343.332 -0.327959 9.81E-04
433 C9H20S 1-NONANETHIOL 160.317 356.912 -0.365687 9.98E-04
434 C10H8 NAPHTHALENE 128.173 226.6239 -0.104725 2.44E-04
435 C10H8 AZULENE 128.173 233.9236 -0.102644 4.58E-04
436 C10H14 BUTYLBENZENE 134.220 229.1261 -0.154935 6.20E-04
437 C10H14 M-DIETHYLBENZENE 134.220 229.3051 -0.161043 6.27E-04
438 C10H14 O-DIETHYLBENZENE 134.220 251.3948 -0.248511 7.26E-04
439 C10H14 P-DIETHYLBENZENE 134.220 248.6076 -0.24987 7.56E-04
440 C10H14 1,2,3,4-TETRAMETHYLBENZENE 134.220 257.5955 -0.29458 7.55E-04
441 C10H14 1,2,3,5-TETRAMETHYLBENZENE 134.220 253.9011 -0.274713 7.60E-04
442 C10H14 1,2,4,5-TETRAMETHYLBENZENE 134.220 332.1006 -0.241356 5.22E-04
443 C10H18 1-DECYNE 138.252 319.8947 -0.341526 1.04E-03
444 C10H18 DECAHYDRONAPHTHALENE,CIS 138.252 234.5421 -0.194409 6.09E-04
445 C10H18 DECAHYDRONAPHTHALENE,TRAN 138.252 239.2636 -0.222615 6.55E-04
446 C10H20 1-DECENE 140.268 293.7518 -0.259669 9.06E-04
447 C10H20 1-CYCLOPENTYLPENTANE 140.268 277.584 -0.219499 8.28E-04
448 C10H20 BUTYLCYCLOHEXANE 140.268 280.3501 -0.210028 7.73E-04
449 C10H20O DECANAL 156.267 353.0502 -0.450931 1.14E-03
450 C10H22 DECANE 142.283 335.151 -0.440914 1.23E-03
451 C10H22 2-METHYLNONANE 142.283 306.3252 -0.307405 1.08E-03
452 C10H22 3-METHYLNONANE 142.283 297.2858 -0.27568 1.03E-03
453 C10H22 4-METHYLNONANE 142.283 298.3626 -0.253142 1.03E-03
454 C10H22 5-METHYLNONANE 142.283 300.7595 -0.279808 1.06E-03
455 C10H22 3-ETHYLOCTANE 142.283 295.8119 -0.272159 1.03E-03
456 C10H22 4-ETHYLOCTANE 142.283 292.4179 -0.279331 1.05E-03
457 C10H22 2,2-DIMETHYLOCTANE 142.283 301.0542 -0.357918 1.12E-03
458 C10H22 2,3-DIMETHYLOCTANE 142.283 310.889 -0.360317 1.13E-03
459 C10H22 2,4-DIMETHYLOCTANE 142.283 300.5128 -0.368396 1.15E-03
460 C10H22 2,5-DIMETHYLOCTANE 142.283 303.6434 -0.365254 1.14E-03
461 C10H22 2,6-DIMETHYLOCTANE 142.283 307.5697 -0.36498 1.14E-03
462 C10H22 2,7-DIMETHYLOCTANE 142.283 305.1671 -0.362547 1.13E-03
463 C10H22 3,3-DIMETHYLOCTANE 142.283 306.6369 -0.356224 1.12E-03
464 C10H22 3,4-DIMETHYLOCTANE 142.283 309.6713 -0.359048 1.12E-03
465 C10H22 3,5-DIMETHYLOCTANE 142.283 304.9605 -0.366669 1.14E-03
466 C10H22 3,6-DIMETHYLOCTANE 142.283 306.4333 -0.362038 1.13E-03
467 C10H22 4,4-DIMETHYLOCTANE 142.283 302.371 -0.363653 1.13E-03
468 C10H22 4,5-DIMETHYLOCTANE 142.283 308.3087 -0.363358 1.13E-03
469 C10H22 4-PROPYLHEPTANE 142.283 303.3071 -0.378568 1.17E-03
470 C10H22 4-ISOPROPYLHEPTANE 142.283 304.7092 -0.371169 1.15E-03
471 C10H22 3-ETHYL-2-METHYLHEPTANE 142.283 307.322 -0.365994 1.14E-03
472 C10H22 4-ETHYL-2-METHYLHEPTANE 142.283 301.4256 -0.374485 1.16E-03
473 C10H22 5-ETHYL-2-METHYLHEPTANE 142.283 305.343 -0.366585 1.14E-03
474 C10H22 3-ETHYL-3-METHYLHEPTANE 142.283 310.1774 -0.356829 1.12E-03
475 C10H22 4-ETHYL-3-METHYLHEPTANE 142.283 308.6578 -0.365765 1.14E-03
476 C10H22 3-ETHYL-5-METHYLHEPTANE 142.283 303.5944 -0.367913 1.14E-03
477 C10H22 3-ETHYL-4-METHYLHEPTANE 142.283 309.6619 -0.365188 1.14E-03
478 C10H22 4-ETHYL-4-METHYLHEPTANE 142.283 306.5291 -0.360379 1.12E-03
479 C10H22 2,2,3-TRIMETHYLHEPTANE 142.283 301.5056 -0.348037 1.09E-03
480 C10H22 2,2,4-TRIMETHYLHEPTANE 142.283 290.7452 -0.364193 1.14E-03
481 C10H22 2,2,5-TRIMETHYLHEPTANE 142.283 293.4971 -0.358874 1.12E-03
482 C10H22 2,2,6-TRIMETHYLHEPTANE 142.283 291.0211 -0.357971 1.12E-03
483 C10H22 2,3,3-TRIMETHYLHEPTANE 142.283 304.6816 -0.344848 1.09E-03
484 C10H22 2,3,4-TRIMETHYLHEPTANE 142.283 304.922 -0.354589 1.11E-03
485 C10H22 2,3,5-TRIMETHYLHEPTANE 142.283 306.2449 -0.359481 1.12E-03
486 C10H22 2,3,6-TRIMETHYLHEPTANE 142.283 300.0375 -0.358225 1.12E-03
487 C10H22 2,4,4-TRIMETHYLHEPTANE 142.283 293.9357 -0.360684 1.13E-03
488 C10H22 2,4,5-TRIMETHYLHEPTANE 142.283 300.8448 -0.359777 1.12E-03
489 C10H22 2,4,6-TRIMETHYLHEPTANE 142.283 289.8131 -0.364838 1.14E-03
490 C10H22 2,5,5-TRIMETHYLHEPTANE 142.283 295.8925 -0.355992 1.11E-03
491 C10H22 3,3,4-TRIMETHYLHEPTANE 142.283 306.8656 -0.34385 1.08E-03
492 C10H22 3,3,5-TRIMETHYLHEPTANE 142.283 298.5226 -0.34072 1.08E-03
493 C10H22 3,4,4-TRIMETHYLHEPTANE 142.283 305.8495 -0.344268 1.08E-03
494 C10H22 2,3,5-TRIMETHYLHEPTANE 142.283 308.8222 -0.363319 1.13E-03
495 C10H22 3-ISOPROPYL-2-METHYLHEXANE 142.283 314.5248 -0.364355 1.13E-03
496 C10H22 3,3-DIETHYLHEXANE 142.283 313.2017 -0.351998 1.10E-03
497 C10H22 3,4-DIETHYLHEXANE 142.283 310.9031 -0.365131 1.14E-03
498 C10H22 3-ETHYL-2,2-DIMETHYLHEXANE 142.283 300.0603 -0.354135 1.11E-03
499 C10H22 4-ETHYL-2,2-DIMETHYLHEXANE 142.283 288.9444 -0.361243 1.13E-03
500 C10H22 3-ETHYL-2,3-DIMETHYLHEXANE 142.283 309.0319 -0.34101 1.07E-03
501 C10H22 4-ETHYL-2,3-DIMETHYLHEXANE 142.283 306.2246 -0.353972 1.11E-03
502 C10H22 3-ETHYL-2,4-DIMETHYLHEXANE 142.283 305.2084 -0.354397 1.11E-03
503 C10H22 4-ETHYL-2,4-DIMETHYLHEXANE 142.283 305.8292 -0.344159 1.08E-03
504 C10H22 3-ETHYL-2,5-DIMETHYLHEXANE 142.283 298.0681 -0.363339 1.13E-03
505 C10H22 4-ETHYL-3,3-DIMETHYLHEXANE 142.283 308.1773 -0.343298 1.08E-03
506 C10H22 3-ETHYL-3,4-DIMETHYLHEXANE 142.283 307.296 -0.345605 1.09E-03
507 C10H22 2,2,3,3-TETRAMETHYLHEXANE 142.283 304.361 -0.337133 1.06E-03
508 C10H22 2,2,3,4-TETRAMETHYLHEXANE 142.283 302.6611 -0.340614 1.07E-03
509 C10H22 2,2,3,5-TETRAMETHYLHEXANE 142.283 289.7181 -0.346215 1.09E-03
510 C10H22 2,2,4,4-TETRAMETHYLHEXANE 142.283 297.2835 -0.355893 1.11E-03
511 C10H22 2,2,4,5-TETRAMETHYLHEXANE 142.283 289.5936 -0.354007 1.11E-03
512 C10H22 2,2,5,5-TETRAMETHYLHEXANE 142.283 303.057 -0.48151 1.25E-03
513 C10H22 2,3,3,4-TETRAMETHYLHEXANE 142.283 335.5604 -0.455186 1.19E-03
514 C10H22 2,3,3,5-TETRAMETHYLHEXANE 142.283 322.8242 -0.47916 1.24E-03
515 C10H22 2,3,4,4-TETRAMETHYLHEXANE 142.283 332.5585 -0.465103 1.21E-03
516 C10H22 2,3,4,5-TETRAMETHYLHEXANE 142.283 326.9011 -0.479859 1.25E-03
517 C10H22 3,3,4,4-TETRAMETHYLHEXANE 142.283 341.01 -0.437119 0.00115
518 C10H22 24DIMETHYL3ISOPROPYLPENTAN 142.283 286.5048 -0.275946 1.01E-03
519 C10H22 33-DIETHYL-2-METHYLPENTANE 142.283 302.4176 -0.262515 9.68E-04
520 C10H22 3ETHYL-223TRIMETHYLPENTANE 142.283 301.7797 -0.25175 9.37E-04
521 C10H22 3ETHYL-224TRIMETHYLPENTANE 142.283 284.1101 -0.270516 9.91E-04
522 C10H22 3ETHYL-234TRIMETHYLPENTANE 142.283 301.8388 -0.256176 9.50E-04
523 C10H22 22334-PENTAMETHYLPENTANE 142.283 319.5981 -0.355344 1.05E-03
524 C10H22 22344-PENTAMETHYLPENTANE 142.283 311.5505 -0.37509 1.10E-03
525 C10H22O DECYL-ALCOHOL 158.283 346.4964 -0.419902 1.01E-03
526 C10H22S BUTYL-HEXYL-SULFIDE 174.343 382.1494 -0.369325 1.06E-03
527 C10H22S ETHYL-OCTYL-SULFIDE 174.343 382.1494 -0.369325 1.06E-03
528 C10H22S HEPTYL-PROPYL-SULFIDE 174.343 382.1494 -0.369325 1.06E-03
529 C10H22S METHYL-NONYL-SULFIDE 174.343 382.1494 -0.369325 1.06E-03
530 C10H22S PENTYL-SULFIDE 174.343 382.1494 -0.369325 1.06E-03
531 C10H22S 1-DECANETHIOL 174.343 384.7547 -0.372938 1.04E-03
532 C10H22S2 PENTYL-DISULFIDE 206.403 358.9367 -0.251922 8.41E-04
533 C11H10 1-METHYLNAPHTHALENE 142.200 257.7842 -0.200341 5.84E-04
534 C11H10 2-METHYLNAPHTHALENE 142.200 232.7541 -7.84E-02 2.24E-04
535 C11H16 PENTYLBENZENE 148.247 265.7557 -0.187731 6.90E-04
536 C11H16 PENTAMETHYLBENZENE 148.247 326.4048 -0.179938 4.33E-04
537 C11H20 1-UNDECYNE 152.279 362.3009 -0.419214 1.16E-03
538 C11H22 1-UNDECENE 154.294 336.1205 -0.373825 1.14E-03
539 C11H22 1-CYCLOPENTYLHEXANE 154.294 313.3215 -0.258755 9.10E-04
540 C11H22 PENTYLCYCLOHEXANE 154.294 321.248 -0.286531 9.29E-04
541 C11H24 UNDECANE 156.310 369.5517 -0.467339 1.27E-03
542 C11H24O UNDECYL-ALCOHOL 172.310 380.6341 -0.52568 1.20E-03
543 C11H24S BUTYL-HEPTYL-SULFIDE 188.370 427.0825 -0.444553 1.18E-03
544 C11H24S DECYL-METHYL-SULFIDE 188.370 427.0825 -0.444553 1.18E-03
545 C11H24S ETHYL-NONYL-SULFIDE 188.370 427.0825 -0.444553 1.18E-03
546 C11H24S OCTYL-PROPYL-SULFIDE 188.370 427.0825 -0.444553 1.18E-03
547 C11H24S 1-UNDECANETHIOL 188.370 431.9615 -0.469362 1.17E-03
548 C12H10 BIPHENYL 154.211 251.4985 -8.35E-02 2.12E-04
549 C12H12 1-ETHYLNAPHTHALENE 156.226 284.5099 -0.221362 6.07E-04
550 C12H12 2-ETHYLNAPHTHALENE 156.226 286.838 -0.230201 6.14E-04
551 C12H12 1,2-DIMETHYLNAPHTHALENE 156.226 305.5508 -0.269947 6.87E-04
552 C12H12 1,3-DIMETHYLNAPHTHALENE 156.226 302.1807 -0.262581 6.78E-04
553 C12H12 1,4-DIMETHYLNAPHTHALENE 156.226 311.1516 -0.286016 7.03E-04
554 C12H12 1,5-DIMETHYLNAPHTHALENE 156.226 294.3999 -0.142304 3.20E-04
555 C12H12 1,6-DIMETHYLNAPHTHALENE 156.226 294.1921 -0.243423 6.56E-04
556 C12H12 1,7-DIMETHYLNAPHTHALENE 156.226 294.5617 -0.244917 6.58E-04
557 C12H12 2,3-DIMETHYLNAPHTHALENE 156.226 302.8004 -0.165136 3.41E-04
558 C12H12 2,6-DIMETHYLNAPHTHALENE 156.226 294.1298 -0.170571 3.42E-04
559 C12H12 2,7-DIMETHYLNAPHTHALENE 156.226 293.3471 -0.156246 3.31E-04
560 C12H18 HEXYLBENZENE 162.274 300.9906 -0.222058 7.53E-04
561 C12H18 1,2,3-TRIETHYLBENZENE 162.274 287.3836 -0.230458 7.87E-04
562 C12H18 1,2,4-TRIETHYLBENZENE 162.274 287.3836 -0.230458 7.87E-04
563 C12H18 1,3,5-TRIETHYLBENZENE 162.274 285.1382 -0.229195 7.83E-04
564 C12H18 HEXAMETHYLBENZENE 162.274 404.3094 -0.361645 5.97E-04
565 C12H22 1-DODECYNE 166.305 397.674 -0.463689 1.24E-03
566 C12H24 1-DODECENE 168.321 380.2977 -0.44339 1.25E-03
567 C12H24 1-CYCLOPENTYLHEPTANE 168.321 355.0891 -0.334337 1.04E-03
568 C12H24 1-CYCLOHEXYLHEXANE 168.321 382.7536 -0.442261 1.13E-03
569 C12H26 DODECANE 170.337 414.3532 -0.54085 1.37E-03
570 C12H26O DODECYL-ALCOHOL 186.336 418.3394 -0.597346 1.33E-03
571 C12H26S BUTYL-OCTYL-SULFIDE 202.397 464.1272 -0.486011 1.25E-03
572 C12H26S DECYL-ETHYL-SULFIDE 202.397 464.1272 -0.486011 1.25E-03
573 C12H26S HEXYL-SULFIDE 202.397 464.1272 -0.486011 1.25E-03
574 C12H26S METHYL-UNDECYL-SULFIDE 202.397 464.1272 -0.486011 1.25E-03
575 C12H26S NONYL-PROPYL-SULFIDE 202.397 464.1272 -0.486011 1.25E-03
576 C12H26S 1-DODECANETHIOL 202.397 458.3501 -0.476471 1.21E-03
577 C12H26S2 HEXYL-DISULFIDE 234.457 414.7588 -0.311169 9.70E-04
578 C13H14 1-PROPYLNAPHTHALENE 170.253 313.4827 -0.264764 6.96E-04
579 C13H14 2-PROPYLNAPHTHALENE 170.253 317.1675 -0.27519 7.06E-04
580 C13H14 2ETHYL-3-METHYLNAPHTHALENE 170.253 313.8667 -0.142952 3.34E-04
581 C13H14 2ETHYL-6-METHYLNAPHTHALENE 170.253 299.0179 -0.118651 3.10E-04
582 C13H14 2ETHYL-7-METHYLNAPHTHALENE 170.253 299.0179 -0.118651 3.10E-04
583 C13H20 1-PHENYLHEPTANE 176.301 338.1881 -0.272394 8.50E-04
584 C13H24 1-TRIDECYNE 180.332 440.4068 -0.541833 1.35E-03
585 C13H26 1-TRIDECENE 182.348 434.5519 -0.528565 1.41E-03
586 C13H26 1-CYCLOPENTYLOCTANE 182.348 391.1118 -0.371506 1.10E-03
587 C13H26 1-CYCLOHEXYLHEPTANE 182.348 401.4602 -0.404172 1.13E-03
588 C13H28 TRIDECANE 184.364 448.7255 -0.55754 1.39E-03
589 C13H28O 1-TRIDECANOL 200.363 392.8878 -0.201121 5.26E-04
590 C13H28S BUTYL-NONYL-SULFIDE 216.424 507.61 -0.555117 1.36E-03
591 C13H28S DECYL-PROPYL-SULFIDE 216.424 507.61 -0.555117 1.36E-03
592 C13H28S DODECYL-METHYL-SULFIDE 216.424 507.61 -0.555117 1.36E-03
593 C13H28S ETHYL-UNDECYL-SULFIDE 216.424 507.61 -0.555117 1.36E-03
594 C13H28S 1-TRIDECANETHIOL 216.424 502.9234 -0.563385 1.33E-03
595 C14H16 1-BUTYLNAPHTHALENE 184.280 338.1091 -0.266521 7.31E-04
596 C14H16 2-BUTYLNAPHTHALENE 184.280 344.5364 -0.295299 7.58E-04
597 C14H22 1-PHENYLOCTANE 190.327 373.6904 -0.309289 9.11E-04
598 C14H22 1,2,3,4-TETRAETHYLBENZENE 190.327 445.3734 -0.559407 1.30E-03
599 C14H22 1,2,3,5-TETRAETHYLBENZENE 190.327 443.4817 -0.553567 1.30E-03
600 C14H22 1,2,4,5-TETRAETHYLBENZENE 190.327 441.7666 -0.549807 1.29E-03
601 C14H26 1-TETRADECYNE 194.359 475.7809 -0.586739 1.43E-03
602 C14H28 1-TETRADECENE 196.375 474.684 -0.594961 1.51E-03
603 C14H28 1-CYCLOPENTYLNONANE 196.375 432.1424 -0.440174 1.21E-03
604 C14H28 1-CYCLOHEXYLOCTANE 196.375 441.0957 -0.462991 1.22E-03
605 C14H30 TETRADECANE 198.391 493.4119 -0.625994 1.49E-03
606 C14H30O 1-TETRADECANOL 214.390 377.8381 -0.22051 5.48E-04
607 C14H30S BUTYL-DECYL-SULFIDE 230.451 545.1466 -0.601768 1.44E-03
608 C14H30S DODECYL-ETHYL-SULFIDE 230.451 545.1466 -0.601768 1.44E-03
609 C14H30S HEPTYL-SULFIDE 230.451 545.1466 -0.601768 1.44E-03
610 C14H30S METHYL-TRIDECYL-SULFIDE 230.451 545.1466 -0.601768 1.44E-03
611 C14H30S PROPYL-UNDECYL-SULFIDE 230.451 545.1466 -0.601768 1.44E-03
612 C14H30S 1-TETRADECANETHIOL 230.451 530.2379 -0.581774 1.38E-03
613 C14H30S2 HEPTYL-DISULFIDE 262.511 470.6042 -0.377799 1.11E-03
614 C15H18 1-PENTYLNAPHTHALENE 198.307 369.3459 -0.286385 7.87E-04
615 C15H18 2-PENTYLNAPHTHALENE 198.307 384.5773 -0.328525 8.33E-04
616 C15H24 1-PHENYLNONANE 204.354 409.8604 -0.349193 9.73E-04
617 C15H28 1-PENTADECYNE 208.386 514.7604 -0.656781 1.53E-03
618 C15H30 1-PENTADECENE 210.402 514.1969 -0.659584 1.61E-03
619 C15H30 1-CYCLOPENTYLDECANE 210.402 467.7266 -0.4871 1.29E-03
620 C15H30 1-CYCLOHEXYLNONANE 210.402 480.8706 -0.522321 1.32E-03
621 C15H32 PENTADECANE 212.417 529.9458 -0.650491 1.52E-03
622 C15H32O 1-PENTADECANOL 228.417 449.1265 -0.235248 5.84E-04
623 C15H32S BUTYL-UNDECYL-SULFIDE 244.477 585.9476 -0.665038 1.53E-03
624 C15H32S DODECYL-PROPYL-SULFIDE 244.477 585.9476 -0.665038 1.53E-03
625 C15H32S ETHYL-TRIDECYL-SULFIDE 244.477 585.9476 -0.665038 1.53E-03
626 C15H32S METHYL-TETRADECYL-SULFIDE 244.477 585.9476 -0.665038 1.53E-03
627 C15H32S 1-PENTADECANETHIOL 244.477 571.5035 -0.659117 1.49E-03
628 C16H26 1-PHENYLDECANE 218.381 443.2645 -0.383389 1.03E-03
629 C16H26 PENTAETHYLBENZENE 218.381 456.0537 -0.260623 6.14E-04
630 C16H30 1-HEXADECYNE 222.413 550.396 -0.708033 1.61E-03
631 C16H32 1-HEXADECENE 224.428 550.8728 -0.723346 1.70E-03
632 C16H32 1-CYCLOPENTYLUNDECANE 224.428 508.3097 -0.558501 1.40E-03
633 C16H32 1-CYCLOHEXYLDECANE 224.428 519.0087 -0.582482 1.41E-03
634 C16H34 HEXADECANE 226.444 573.1349 -0.707507 1.60E-03
635 C16H34O 1-HEXADECANOL 242.444 521.5002 -0.251994 6.21E-04
636 C16H34S BUTYL-DODECYL-SULFIDE 258.504 622.149 -0.713599 1.61E-03
637 C16H34S ETHYL-TETRADECYL-SULFIDE 258.504 633.8104 -0.791403 1.75E-03
638 C16H34S METHYL-PENTADECYL-SULFIDE 258.504 622.149 -0.713599 1.61E-03
639 C16H34S OCTYL-SULFIDE 258.504 622.149 -0.713599 1.61E-03
640 C16H34S PROPYL-TRIDECYL-SULFIDE 258.504 622.149 -0.713599 1.61E-03
641 C16H34S 1-HEXADECANETHIOL 258.504 599.5524 -0.689216 1.55E-03
642 C16H34S2 OCTYL-DISULFIDE 290.564 526.8982 -0.4512 1.25E-03
643 C17H28 1-PHENYLUNDECANE 232.408 479.7076 -0.442282 1.13E-03
644 C17H32 1-HEPTADECYNE 236.439 588.957 -0.776666 1.71E-03
645 C17H34 1-HEPTADECENE 238.455 589.8775 -0.77262 1.77E-03
646 C17H34 1-CYCLOPENTYLDODECANE 238.455 542.5786 -0.605798 1.48E-03
647 C17H34 1-CYCLOHEXYLUNDECANE 238.455 556.6256 -0.639949 1.50E-03
648 C17H36 HEPTADECANE 240.471 598.2518 -0.743507 1.65E-03
649 C17H36O 1-HEPTADECANOL 256.470 486.9349 -0.268976 6.39E-04
650 C17H36S BUTYL-TRIDECYL-SULFIDE 272.531 660.6669 -0.775948 0.001705
651 C17H36S ETHYL-PENTADECYL-SULFIDE 272.531 660.6669 -0.775948 0.001705
652 C17H36S HEXADECYL-METHYL-SULFIDE 272.531 660.6669 -0.775948 0.001705
653 C17H36S PROPYL-TETRADECYL-SULFIDE 272.531 660.6669 -0.775948 0.001705
654 C17H36S 1-HEPTADECANETHIOL 272.531 568.3615 -0.225104 6.21E-04
655 C18H30 1-PHENYLDODECANE 246.435 512.2522 -0.476222 1.18E-03
656 C18H30 HEXAETHYLBENZENE 246.435 523.5062 -0.453371 8.10E-04
657 C18H34 1-OCTADECYNE 250.466 546.7927 -0.250831 6.75E-04
658 C18H36 1-OCTADECENE 252.482 631.3307 -0.864916 1.92E-03
659 C18H36 1-CYCOPENTYLTRIDECANE 252.482 582.0896 -0.675296 1.58E-03
660 C18H36 1-CYCLOHEXYLDODECANE 252.482 594.223 -0.701574 1.60E-03
661 C18H38 OCTADECANE 254.498 561.469 -0.273091 7.24E-04
662 C18H38O 1-OCTADECANOL 270.497 508.95 -0.284541 6.64E-04
663 C18H38S BUTYL-TETRADECYL-SULFIDE 286.558 697.6482 -0.827127 1.78E-03
664 C18H38S ETHYL-HEXADECYL-SULFIDE 286.558 697.6482 -0.827127 1.78E-03
665 C18H38S HEPTADECYL-METHYL-SULFIDE 286.558 697.6482 -0.827127 1.78E-03
666 C18H38S NONYL-SULFIDE 286.558 697.6482 -0.827127 1.78E-03
667 C18H38S PENTADECYL-PROPYL-SULFIDE 286.558 697.6482 -0.827127 1.78E-03
668 C18H38S 1-OCTADECANETHIOL 286.558 591.688 -0.23207 6.39E-04
669 C18H38S2 NONYL-DISULFIDE 318.618 581.9699 -0.526118 1.38E-03
670 C19H32 1-PHENYLTRIDECANE 260.461 543.6499 -0.507299 1.22E-03
671 C19H36 1-NONADECYNE 264.493 573.7683 -0.268047 7.03E-04
672 C19H38 1-NONADECENE 266.509 664.7043 -0.897628 1.95E-03
673 C19H38 1-CYCLOPENTYLTETRADECANE 266.509 613.417 -0.715 1.65E-03
674 C19H38 1-CYCLOHEXYLTRIDECANE 266.509 630.4597 -0.758542 1.68E-03
675 C19H40 NONADECANE 268.525 583.0633 -0.24104 6.47E-04
676 C19H40O 1-NONADECANOL 284.524 553.437 -0.295932 6.85E-04
677 C19H40S BUTYL-PENTADECYL-SULFIDE 300.585 644.5607 -0.25109 6.84E-04
678 C19H40S ETHYL-HEPTADECYL-SULFIDE 300.585 644.5607 -0.25109 6.84E-04
679 C19H40S HEXADECYL-PROPYL-SULFIDE 300.585 644.5607 -0.25109 6.84E-04
680 C19H40S METHYL-OCTADECYL-SULFIDE 300.585 644.5607 -0.25109 6.84E-04
681 C19H40S 1-NONADECANETHIOL 300.585 616.9435 -0.250083 6.69E-04
682 C20H34 1-PHENYLTETRADECANE 274.488 573.7506 -0.537621 1.27E-03
683 C20H38 1-EICOSYNE 278.520 599.0401 -0.281178 7.28E-04
684 C20H40 1-EICOSENE 280.536 608.4817 -0.284044 7.56E-04
685 C20H40 1-CYCLOPENTYLPENTADECANE 280.536 655.4908 -0.814904 1.81E-03
686 C20H40 1-CYCLOHEXYLTETRADECANE 280.536 665.3303 -0.817215 1.77E-03
687 C20H42 EICOSANE 282.551 615.931 -0.310825 7.91E-04
688 C20H42O 1-EICOSANOL 298.551 551.8545 -0.311972 7.06E-04
689 C20H42S BUTYL-HEXADECYL-SULFIDE 314.611 670.8407 -0.268678 7.12E-04
690 C20H42S DECYL-SULFIDE 314.611 670.8407 -0.268678 7.12E-04
691 C20H42S ETHYL-OCTADECYL-SULFIDE 314.611 670.8407 -0.268678 7.12E-04
692 C20H42S HEPTADECYL-PROPYL-SULFIDE 314.611 670.8407 -0.268678 7.12E-04
693 C20H42S METHYL-NONADECYL-SULFIDE 314.611 670.8407 -0.268678 7.12E-04
694 C20H42S 1-EICOSANETHIOL 314.611 640.1282 -0.263151 6.92E-04
695 C20H42S2 DECYL-DISULFIDE 346.671 636.7532 -0.609965 1.53E-03
696 C21H36 1-PHENYLPENTADECANE 288.515 607.8745 -0.60106 1.37E-03
697 C21H42 1-CYCLOPENTYLHEXADECANE 294.562 686.8347 -0.848133 1.84E-03
698 C21H42 1-CYCLOHEXYLPENTADECANE 294.562 614.2168 -0.251495 6.82E-04
699 C22H38 1-PHENYLHEXADECANE 302.542 579.507 -0.187461 5.38E-04
700 C22H44 1-CYCLOHEXYLHEXADECANE 308.589 639.5113 -0.267177 7.09E-04
H2O
se temperatura
se No. de Sustancia

Tmax Teb
106.69 76.65 C

TX
TN (Tmin)
(Tmax) Teb [K]
[K]
[K]
250.00 379.84 349.80
162.00 327.10
115.40 273.29
92.00 221.70
86.40 175.15
68.10 111.61 81.70
216.56 258.57
134.30 252.91
161.30 349.00 319.40
209.60 364.33 334.30
138.00 312.07
113.00 262.38
110.00 221.00
396.16 521.16

178.10 343.15 312.90


140.16 294.06
101.71 251.49
279.26 485.16
156.00 279.55 254.10
281.50 403.92
179.50 307.50
175.40 279.15
131.40 224.79
206.70 345.58
244.60 403.99 374.40

90.70 141.62 111.40


175.50 367.77 337.90
150.00 309.10
179.70 296.76 266.80
251.00 424.22

238.20 350.75
179.00 307.30

172.40 224.90

186.80 391.15
244.00 463.47
94.53 251.01
189.40
155.92 334.71
192.70 363.45
223.00 351.50
237.00 449.15
129.00 217.46
107.90 277.86
107.90 277.86

133.66 318.96
119.40 289.40
235.80 416.55
160.20 353.90
130.00 231.02
161.90 255.74
229.30 382.75 354.80
104.00 199.39 169.40
283.30 434.64
176.20 360.65
237.50 387.14
156.20 277.15
356.16 503.16
161.00 313.81
150.20 323.75 294.00
289.80 421.29 391.10

165.37 358.07
154.60 341.73
136.80 315.50
129.90 265.45
165.00 375.59
195.16 358.55

89.90 214.63 184.60


131.70 279.16
159.10 381.45 351.40
260.20 500.49 470.50
174.90 340.66
125.30 338.73
188.44 412.89
192.00 319.79 289.70
181.00 310.09
189.50 380.50
136.90 271.15
170.50 279.75
285.00 444.00
153.76 373.16
138.70 348.38
258.50 459.00
173.86 405.16
180.30 400.30
87.90 255.65
145.70 270.29
217.96 443.16
172.70 399.50
173.66 423.56
239.36 372.46
253.16 530.16
161.00 337.25
144.00 399.65
193.00 351.95
178.20 359.35 329.40
199.96 398.13
163.16 374.16
184.16 362.56
150.40 349.73
156.00 337.95
114.16 299.95
139.80 293.81
172.16 405.56
183.06 392.56

85.50 261.14 231.10


134.00 310.76
146.90 400.40
184.70 385.45
167.20 370.15
159.98 369.15
142.62 355.70
190.00 352.15
156.00 306.02
232.16 297.16

187.50 334.50
234.90 387.01
137.00 314.00
164.20 298.74 268.70
147.40 311.21
240.90 330.13
153.76 305.75
199.00 439.55
161.00 420.37
201.66 406.96
87.80 296.92 266.90
134.30 306.88 276.90
167.60 304.03 274.00
132.80 296.29
182.40 315.66
207.76 469.46
238.66 464.16
279.06 506.76
176.80 377.93
186.50 382.64

189.60 379.84 350.20


177.00 424.60
160.76 404.76
161.26 394.36
256.96 376.41
150.10 381.60
141.80 371.15
142.86 372.16
247.80 353.91
234.96 403.16
213.16 388.95

134.80 302.98 272.70


113.60 291.52 261.40
156.90 337.65 307.60
156.87 341.72
156.87 333.92
165.20 420.61
158.50 402.80
298.80 385.88
169.20 395.26
171.65 387.90
160.19 398.71
157.48 401.61
133.02 388.13
128.30 391.64
274.27 367.36
171.70 456.67
224.10 380.12
188.00 366.15
201.16 346.91
223.40 359.16
231.50 418.38
209.77 415.71
204.18 418.60
135.90 348.00
185.70 345.10
185.69 347.22
124.90 329.10
147.51 351.41
159.50 344.00
127.20 337.22
167.50 343.35
163.86 359.22
183.46 329.50
138.10 347.38
166.11 342.19
107.90 335.81
121.70 339.25
132.90 339.50
135.60 334.28
104.70 323.25
139.30 341.70
179.30 352.41 322.40
288.00 474.01
182.00 406.00
196.00 405.41
292.14 444.90
155.39 435.33
185.26 432.74
174.16 410.15
168.76 401.66
199.66 388.76
143.40 339.22 309.20
113.30 331.15
256.60 312.64
164.56 358.30 328.40
195.00 440.90
327.00 416.30
175.33 426.58
156.15 421.65
169.38 402.28
197.45 429.80

256.10 479.10
248.46 476.16
326.26 477.16
249.16 393.66
239.16 394.66
260.16 392.00
242.30 459.10
227.60 435.06
234.00 388.05
241.80 491.57
278.70 383.31 353.20
314.00 484.89
258.37 472.32
207.00 432.56
254.86 447.30
267.00 487.20
141.26 374.49
169.70 386.14 356.10
145.96 378.95
130.16 373.16
112.31 378.31

133.30 367.91 336.30


132.00 372.00
140.00 371.00
135.30 369.60
159.70 370.30
137.44 365.27
120.16 357.34
119.53 357.03
138.10 370.50
138.30 370.90
134.70 373.60
139.00 359.60
132.00 361.70
141.63 367.84
115.90 358.80
158.00 344.40
198.90 376.40
279.60 383.90 353.90
130.70 374.97 345.00

217.16 431.43
292.14 444.90
177.80 371.93 341.90
119.50 363.40
155.00 366.35
173.30 352.87
144.60 361.16
151.00 393.20
187.70 371.40
229.20 460.25
178.03 447.41
170.45 423.19
179.16 431.16
170.45 446.00
192.66 455.84
187.68 494.65
158.40 392.35
244.06 405.16

395.60 553.00
216.36 419.76
178.00 413.73 383.80
193.66 418.65
285.40 505.40
304.10 494.08
307.90 504.98
192.26 402.86
154.30 396.79
265.00 421.94
134.70 406.60
203.40 391.00
219.30 402.68
155.60 395.01
139.46 393.92
139.19 394.87
146.60 404.08 374.10
229.86 455.00
182.60 401.56 371.60
154.90 393.19
100.00 394.98
154.60 396.57
149.40 382.35
149.40 393.05
154.00 383.77
138.70 389.22
248.30 384.03
177.80 408.66
239.20 479.07
206.66 474.16
206.66 474.16
206.66 474.16
229.91 480.11
242.53 448.36
242.50 448.15 418.30
266.16 443.16
178.20 439.17 409.40
225.30 442.22 412.30
248.00 447.46 417.60
286.40 441.44 411.50
193.86 429.36
171.40 425.17
287.60 454.30
155.80 434.10
161.80 434.94
239.70 422.70
223.10 432.94
185.00 426.71
197.60 423.25
183.00 427.60
185.70 427.56
236.20 422.50
245.93 474.87
216.40 428.77 398.80
164.00 420.80 372.40
152.70 422.07
152.20 420.92
152.16 421.70
152.00 410.01
171.96 418.78
171.96 412.82
181.90 411.76
147.00 415.12
147.06 421.85
158.20 418.81
182.30 421.42
160.90 413.25
165.80 402.38
172.50 417.89
163.90 416.58
172.47 409.60
175.00 442.85
171.65 424.20
206.49 410.37
257.70 498.26
209.86 485.15
209.86 498.16
209.86 498.16
209.86 498.16
223.93 502.30
202.16 534.36
249.93 468.50
211.47 473.16
243.82 473.16
186.81 471.16
204.58 474.16
239.00 472.16
173.70 460.17
177.10 456.31 425.60
177.60 464.50
192.30 468.30
210.80 465.20
247.70 479.27
227.00 472.26
228.40 467.89
223.16 453.96
191.80 450.00
165.18 459.76
178.70 459.90
223.46 441.66
188.76 443.70
267.30 491.60
219.70 453.81 424.00
192.80 446.19
165.56 447.37
159.96 445.58
159.96 446.16
159.96 444.36
160.00 435.85
160.16 443.66
160.16 436.05
160.16 439.16
170.26 438.37
170.26 440.17
170.26 443.76
170.26 439.16
170.26 438.36
160.16 441.16
160.16 436.96
160.16 443.76
160.16 443.56
153.16 436.75
153.00 429.69
167.40 427.24
156.36 440.84
156.36 442.20
145.36 434.50
159.78 433.81
171.96 443.62
240.10 449.30
173.67 436.99
173.67 447.86
150.80 439.85
263.00 443.44
152.00 436.18
206.00 425.44
171.10 444.72
268.00 516.61
231.16 521.16
231.16 521.16
231.16 521.16
231.16 521.16
253.04 522.96
353.45 521.13
173.66 545.16
185.20 486.43
189.24 484.25
241.92 487.02
231.00 486.94
266.91 508.25
249.00 501.25
352.00 500.00
229.16 477.16
230.00 498.61
242.80 490.42
206.90 473.70
190.16 483.76
198.40 484.10
268.16 511.66
243.50 476.86 447.30
198.51 470.16
188.36 470.96
174.46 468.86
185.46 468.26
185.46 469.66
185.46 466.80
219.16 460.06
219.16 467.47
219.16 459.06
219.16 461.66
219.16 463.54
219.16 463.03
219.16 464.36
219.16 466.56
219.16 462.56
219.16 463.96
219.16 460.66
219.16 465.29
219.16 460.66
219.16 462.06
219.16 464.36
219.16 459.36
219.16 462.86
219.16 466.96
219.16 465.36
219.16 461.36
219.16 466.16
219.16 463.96
219.16 460.76
219.16 451.46
219.16 453.96
219.16 452.09
219.16 463.36
219.16 463.06
219.16 463.86
219.16 459.16
219.16 454.16
219.16 459.66
219.16 450.76
219.16 455.96
219.16 465.06
219.16 458.85
219.16 464.26
219.16 465.66
219.16 469.86
219.16 469.46
219.16 467.06
219.16 459.26
219.16 450.16
219.16 466.86
219.16 464.06
219.16 463.26
219.16 464.26
219.16 457.26
219.16 466.06
219.16 465.26
219.16 463.48
219.16 461.96
219.16 451.56
219.16 456.96
219.16 451.04
260.56 440.63
260.56 467.75
260.56 456.26
260.56 464.76
260.56 459.36
260.56 473.16
191.46 460.20
191.46 472.86
191.46 472.66
191.46 458.46
191.46 472.60
236.71 469.21
234.41 462.45
280.10 534.12
238.16 543.16
238.16 543.16
238.16 543.16
238.16 543.16
238.16 543.16
247.59 542.36
214.16 567.06
242.70 547.82
307.70 544.22
198.16 508.62
327.50 535.05
248.16 498.16
224.00 495.80
200.16 506.26
215.66 506.87
247.60 498.70
292.16 546.16
254.66 563.16
254.66 563.16
254.66 563.16
254.66 563.16
270.37 560.56
342.40 558.15 528.20
259.35 561.49
265.76 561.49
272.16 569.46
269.16 568.36
280.82 570.46
355.16 568.16
259.16 566.16
260.16 566.16
378.16 571.16
385.16 565.16
371.16 566.16
212.16 529.26
206.66 520.66
206.66 520.66
206.66 519.16
438.66 566.60
254.16 518.16
238.00 516.50
220.00 527.30
263.60 527.86
263.60 518.61
297.10 563.10
259.16 582.16
259.16 582.16
259.16 582.16
259.16 582.16
259.16 582.16
265.37 577.76
225.16 596.66
264.69 575.96
270.16 576.66
344.16 580.16
318.16 573.16
318.16 573.16
225.16 549.16
268.16 537.16
250.10 535.90
229.16 546.86
242.66 548.06
267.80 537.77
304.16 577.16
271.16 600.16
271.16 600.16
271.16 600.16
271.16 600.16
282.04 593.96
253.44 592.55
268.16 592.16
237.16 567.56
284.96 554.16
284.16 553.66
283.16 553.16
273.16 555.16
260.30 554.30
244.16 565.26
253.46 566.76
279.02 556.14
312.66 566.36
276.16 617.16
276.16 617.16
276.16 617.16
276.16 617.16
276.16 617.16
279.26 609.36
235.16 623.86
251.16 610.16
269.16 613.16
249.16 585.16
283.16 571.16
269.40 571.50
251.03 582.54
262.96 584.66
283.08 573.59
317.04 608.01
284.16 633.16
284.16 633.16
284.16 633.16
284.16 633.16
290.93 623.86
258.78 601.05
327.66 580.16
288.16 587.16
277.30 588.00
263.16 598.76
271.43 600.82
291.00 590.50
322.46 647.16
288.16 648.16
288.16 648.16
288.16 648.16
288.16 648.16
288.16 648.16
290.93 637.16
244.16 649.16
268.16 616.36
295.16 602.16
284.36 603.22
268.16 614.06
278.96 616.26
295.00 606.00
327.00 625.60
294.16 662.16
294.16 662.16
294.16 662.16
294.16 662.16
300.37 651.16
276.16 630.76
401.16 601.16
300.16 616.16
290.80 618.00
278.16 628.56
285.66 630.86
301.30 619.50
331.00 634.95
298.16 676.16
298.16 676.16
298.16 676.16
298.16 676.16
298.16 676.16
300.93 663.16
252.16 672.16
283.16 644.36
306.16 630.16
296.56 631.66
282.00 642.16
291.66 644.66
305.00 633.15
334.87 659.01
303.16 689.16
303.16 689.16
303.16 689.16
303.16 689.16
307.04 675.16
289.16 657.16
309.16 643.16
301.76 644.86
290.00 655.00
297.16 657.16
310.00 647.00
339.00 654.50
308.16 701.16
308.16 701.16
308.16 701.16
308.16 701.16
308.16 701.16
310.37 686.16
259.16 693.16
295.16 669.16
294.16 667.16
302.16 670.16
300.16 681.16
306.76 682.16

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