Chemical Properties of 1,2-Di(phenylthio) ethane

InChI

InChI=1S/C14H14S2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2

InChI Key

MHCVYAFXPIMYRD-UHFFFAOYSA-N

Formula

C14H14S2

SMILES

c1ccc(SCCSc2ccccc2)cc1

Molecular Weight¹

246.40

Other Names

• 1,1'-[ethane-1,2-diylbis(thio)]bisbenzene
• 1,2-Bis(phenylthio)ethane
• Benzene, 1,1'-[1,2-ethanediylbis(thio)]bis-
• Bis(phenylthio)ethane
• Ethane, 1,2-bis(phenylthio)-

• ω : Acentric Factor.
• 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_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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.97; 557.73]	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			-3.84480e+01
Coefficient B			1.16478e+00
Coefficient C			-7.19800e-04
Coefficient D			1.51200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.97	J/mol×K	273.00	Calculated Property
Cp,gas	290.23	J/mol×K	353.78	Calculated Property
Cp,gas	344.20	J/mol×K	434.56	Calculated Property
Cp,gas	391.34	J/mol×K	515.33	Calculated Property
Cp,gas	432.14	J/mol×K	596.11	Calculated Property
Cp,gas	467.07	J/mol×K	676.89	Calculated Property
Cp,gas	496.62	J/mol×K	757.67	Calculated Property
Cp,gas	521.26	J/mol×K	838.44	Calculated Property
Cp,gas	541.47	J/mol×K	919.22	Calculated Property
Cp,gas	557.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Di(phenylthio) ethane.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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