Chemical Properties of Benzyl phenyl sulfide

Benzyl phenyl sulfide

InChI
InChI=1S/C13H12S/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2
InChI Key
LKMCJXXOBRCATQ-UHFFFAOYSA-N
Formula
C13H12S
SMILES
c1ccc(CSc2ccccc2)cc1
Molecular Weight1
200.31
Other Names
  • 1,2-Diphenyl-1-thiaethane
  • Benzene, [(phenylmethyl)thio]-
  • Phenyl benzyl sulfide
  • Sulfide, benzyl phenyl
  • benzyl phenyl sulphide
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Physical Properties

Property Value Unit Source
ω 0.3738 Relay (1.0) Calculated Property
ΔfG° 316.52 kJ/mol Joback Calculated Property
ΔfH°gas 225.59 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 21.64 kJ/mol Joback Calculated Property
ΔsubH° 98.40 ± 1.40 kJ/mol NIST
ΔvapH° 79.02 kJ/mol Relay (1.0) Calculated Property
IE 7.87 ± 0.02 eV NIST
log10WS -4.72 Relay (1.0) Calculated Property
logPoct/wat 3.979 Crippen Calculated Property
McVol 162.860 ml/mol McGowan Calculated Property
Pc 3131.49 kPa Joback Calculated Property
Tboil 577.46 K Relay (1.0) Calculated Property
Tc 820.11 K Relay (1.0) Calculated Property
Tfus 315.40 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc 0.595 m3/kmol Relay (1.0) Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 470.20 K 3.60 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [187.25; 479.55] 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-5.71390e+01
Coefficient B1.07539e+00
Coefficient C-7.05600e-04
Coefficient D1.66900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 187.25 J/mol×K 273.00 Calculated Property
Cp,gas 242.39 J/mol×K 353.78 Calculated Property
Cp,gas 290.63 J/mol×K 434.56 Calculated Property
Cp,gas 332.50 J/mol×K 515.33 Calculated Property
Cp,gas 368.53 J/mol×K 596.11 Calculated Property
Cp,gas 399.25 J/mol×K 676.89 Calculated Property
Cp,gas 425.18 J/mol×K 757.67 Calculated Property
Cp,gas 446.86 J/mol×K 838.44 Calculated Property
Cp,gas 464.81 J/mol×K 919.22 Calculated Property
Cp,gas 479.55 J/mol×K 1000.00 Calculated Property

Similar Compounds

Chlorbenside. benzyl phenyl sulfoxide. Benzyl phenyl sulfone. Benzene, 1-methyl-3-(methylthio)-. Benzene, 1-(ethylthio)-3-methyl-. Benzene, 1-methyl-2-(methylthio)-. Benzene, 1-methyl-4-(methylthio)-. Methyl 4-methylphenylsulfoxide. 5,5'-Bis-benzylmercapto-[2,2'-azo-1,3,4-thiadiazol]. Benzene, 1-methyl-3-[(1-methylethyl)thio]-. 5-Benzylmercapto-1,3,4-thiadiazolidone-2-azine. Benzene, 1-(ethylthio)-4-methyl-. (Phenylthio)acetic acid, phenylmethyl ester. 4-(METHYLTHIO)BENZYL ALCOHOL. 2-Benzylmercapto-3-methyl pyrazine.

Find more compounds similar to Benzyl phenyl sulfide.

Sources

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