Chemical Properties of Benzene, [(phenylmethyl)thio]- (CAS 831-91-4)

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

200.30

CAS

831-91-4

Other Names

• Benzyl phenyl sulfide
• Phenyl benzyl sulfide
• Sulfide, benzyl phenyl
• 1,2-Diphenyl-1-thiaethane
• benzyl phenyl sulphide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[377.75; 457.34]	J/mol×K	[618.98; 883.68]
Cp,gas	377.75	J/mol×K	618.98	Joback Calculated Property
Cp,gas	394.36	J/mol×K	663.10	Joback Calculated Property
Cp,gas	409.52	J/mol×K	707.21	Joback Calculated Property
Cp,gas	423.31	J/mol×K	751.33	Joback Calculated Property
Cp,gas	435.82	J/mol×K	795.45	Joback Calculated Property
Cp,gas	447.13	J/mol×K	839.56	Joback Calculated Property
Cp,gas	457.34	J/mol×K	883.68	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzene, [(phenylmethyl)thio]-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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