Chemical Properties of Trimethylsulfonylmethane (CAS 67294-81-9)

InChI

InChI=1S/C4H10O6S3/c1-11(5,6)4(12(2,7)8)13(3,9)10/h4H,1-3H3

InChI Key

QYBXIUDBUIUBHS-UHFFFAOYSA-N

Formula

C4H10O6S3

SMILES

CS(=O)(=O)C(S(C)(=O)=O)S(C)(=O)=O

Molecular Weight¹

250.31

CAS

67294-81-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.06; 433.92]	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			9.72900e+01
Coefficient B			4.90530e-01
Coefficient C			-2.00000e-07
Coefficient D			-1.53700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.06	J/mol×K	273.00	Calculated Property
Cp,gas	264.00	J/mol×K	353.78	Calculated Property
Cp,gas	297.80	J/mol×K	434.56	Calculated Property
Cp,gas	328.99	J/mol×K	515.33	Calculated Property
Cp,gas	357.07	J/mol×K	596.11	Calculated Property
Cp,gas	381.56	J/mol×K	676.89	Calculated Property
Cp,gas	401.98	J/mol×K	757.67	Calculated Property
Cp,gas	417.84	J/mol×K	838.44	Calculated Property
Cp,gas	428.65	J/mol×K	919.22	Calculated Property
Cp,gas	433.92	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Trimethylsulfonylmethane.

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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