Chemical Properties of 1,4-Benzenedimethanethiol, S,S'-diacetyl-

InChI

InChI=1S/C12H14O2S2/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h3-6H,7-8H2,1-2H3

InChI Key

LMMQNTZMZDKEPJ-UHFFFAOYSA-N

Formula

C12H14O2S2

SMILES

CC(=O)SCc1ccc(CSC(C)=O)cc1

Molecular Weight¹

254.37

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 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	[248.20; 548.07]	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			2.62920e+01
Coefficient B			9.38220e-01
Coefficient C			-4.75360e-04
Coefficient D			5.89200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.20	J/mol×K	273.00	Calculated Property
Cp,gas	301.33	J/mol×K	353.78	Calculated Property
Cp,gas	349.07	J/mol×K	434.56	Calculated Property
Cp,gas	391.61	J/mol×K	515.33	Calculated Property
Cp,gas	429.14	J/mol×K	596.11	Calculated Property
Cp,gas	461.84	J/mol×K	676.89	Calculated Property
Cp,gas	489.89	J/mol×K	757.67	Calculated Property
Cp,gas	513.49	J/mol×K	838.44	Calculated Property
Cp,gas	532.82	J/mol×K	919.22	Calculated Property
Cp,gas	548.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Benzenedimethanethiol, S,S'-diacetyl-.

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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