Chemical Properties of Benzene, 1-chloro-3-(phenylthio)- (CAS 38700-88-8)

InChI

InChI=1S/C12H9ClS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H

InChI Key

YNJLAXHIFOICPE-UHFFFAOYSA-N

Formula

C12H9ClS

SMILES

Clc1cccc(Sc2ccccc2)c1

Molecular Weight¹

220.72

CAS

38700-88-8

• 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_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_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	[353.03; 419.97]	J/mol×K	[638.51; 913.62]
Cp,gas	353.03	J/mol×K	638.51	Joback Calculated Property
Cp,gas	367.27	J/mol×K	684.36	Joback Calculated Property
Cp,gas	380.17	J/mol×K	730.21	Joback Calculated Property
Cp,gas	391.81	J/mol×K	776.06	Joback Calculated Property
Cp,gas	402.27	J/mol×K	821.91	Joback Calculated Property
Cp,gas	411.63	J/mol×K	867.76	Joback Calculated Property
Cp,gas	419.97	J/mol×K	913.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-chloro-3-(phenylthio)-.

Sources

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

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