Chemical Properties of Cyclohexyl phenyl sulfide

Cyclohexyl phenyl sulfide

InChI
InChI=1S/C12H16S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChI Key
LWSWHXZQBIFYLZ-UHFFFAOYSA-N
Formula
C12H16S
SMILES
c1ccc(SC2CCCCC2)cc1
Molecular Weight1
192.33
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Physical Properties

Property Value Unit Source
ΔfH°gas 54.29 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.84 kJ/mol Joback Calculated Property
IE 8.06 eV Relay (1.0) Calculated Property
logPoct/wat 4.111 Crippen Calculated Property
McVol 161.670 ml/mol McGowan Calculated Property
Tboil 567.01 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [185.17; 531.56] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-8.79300e+01
Coefficient B1.18139e+00
Coefficient C-7.01000e-04
Coefficient D1.39100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 185.17 J/mol×K 273.00 Calculated Property
Cp,gas 248.44 J/mol×K 353.78 Calculated Property
Cp,gas 304.49 J/mol×K 434.56 Calculated Property
Cp,gas 353.75 J/mol×K 515.33 Calculated Property
Cp,gas 396.68 J/mol×K 596.11 Calculated Property
Cp,gas 433.70 J/mol×K 676.89 Calculated Property
Cp,gas 465.26 J/mol×K 757.67 Calculated Property
Cp,gas 491.79 J/mol×K 838.44 Calculated Property
Cp,gas 513.75 J/mol×K 919.22 Calculated Property
Cp,gas 531.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzene, [(1-methylpropyl)thio]-. 2-mercaptophenyl-1-pentanol, TMS. Butylthiobenzene. Benzoic acid, 2-(pentylthio)-, methyl ester. 3-(1'-Hydroxy-2'-pentyl) mercaptothiophene. CYCLOPROPYL PHENYL SULPHIDE. Benzoic acid, 3-(pentylthio)-, pentyl ester. Benzoic acid, 4-(pentylthio)-, pentyl ester. Benzoic acid, 2-(pentylthio)-, pentyl ester. 1-mercaptophenyl-2-pentanol, TMS. Benzoic acid, 2-(1-methylpropyl)thio-, methyl ester. 1-PHENOXY-4-PHENYLTHIO-BUTANE. Benzoic acid, 2-(butylthio)-, methyl ester. Captodiamine. Benzoic acid, 3-(1-methylpropyl)thio-, 1-methylpropyl ester.

Find more compounds similar to Cyclohexyl phenyl sulfide.

Sources

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