Chemical Properties of Bis(phenylthio)methane (CAS 3561-67-9)

InChI

InChI=1S/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2

InChI Key

ZHUPZVIALZHGGP-UHFFFAOYSA-N

Formula

C13H12S2

SMILES

c1ccc(SCSc2ccccc2)cc1

Molecular Weight¹

232.36

CAS

3561-67-9

Other Names

• Benzene, 1,1'-[methylenebis(thio)]bis-
• Bis(phenyithio)methane
• Bis(thiophenoxy)methane
• Formaldehyde diphenyl mercaptal
• [methylenebis(thio)]bisbenzene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[207.75; 506.14]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.75390e+01
Coefficient B			1.06978e+00
Coefficient C			-6.65400e-04
Coefficient D			1.39300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.75	J/mol×K	273.00	Calculated Property
Cp,gas	263.81	J/mol×K	353.78	Calculated Property
Cp,gas	313.12	J/mol×K	434.56	Calculated Property
Cp,gas	356.11	J/mol×K	515.33	Calculated Property
Cp,gas	393.23	J/mol×K	596.11	Calculated Property
Cp,gas	424.91	J/mol×K	676.89	Calculated Property
Cp,gas	451.61	J/mol×K	757.67	Calculated Property
Cp,gas	473.75	J/mol×K	838.44	Calculated Property
Cp,gas	491.78	J/mol×K	919.22	Calculated Property
Cp,gas	506.14	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bis(phenylthio)methane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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