Chemical Properties of Benzene, 1,4-bis(methylthiomethyl)- (CAS 75919-81-2)

InChI

InChI=1S/C10H14S2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-6H,7-8H2,1-2H3

InChI Key

RXSOGQQIXHXMGS-UHFFFAOYSA-N

Formula

C10H14S2

SMILES

CSCc1ccc(CSC)cc1

Molecular Weight¹

198.35

CAS

75919-81-2

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[203.92; 466.85]	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			1.33920e+01
Coefficient B			8.04220e-01
Coefficient C			-4.03960e-04
Coefficient D			5.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.92	J/mol×K	273.00	Calculated Property
Cp,gas	249.70	J/mol×K	353.78	Calculated Property
Cp,gas	290.95	J/mol×K	434.56	Calculated Property
Cp,gas	327.84	J/mol×K	515.33	Calculated Property
Cp,gas	360.52	J/mol×K	596.11	Calculated Property
Cp,gas	389.17	J/mol×K	676.89	Calculated Property
Cp,gas	413.96	J/mol×K	757.67	Calculated Property
Cp,gas	435.06	J/mol×K	838.44	Calculated Property
Cp,gas	452.64	J/mol×K	919.22	Calculated Property
Cp,gas	466.85	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,4-bis(methylthiomethyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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