Chemical Properties of 3,7-Dimethyl-1-thiaindene sulfone

InChI

InChI=1S/C10H10O2S/c1-7-4-3-5-9-8(2)6-13(11,12)10(7)9/h3-6H,1-2H3

InChI Key

OITNEHOYSPWFRO-UHFFFAOYSA-N

Formula

C10H10O2S

SMILES

CC1=CS(=O)(=O)c2c(C)cccc21

Molecular Weight¹

194.26

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[185.88; 418.34]	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			-1.01500e+01
Coefficient B			8.71450e-01
Coefficient C			-6.06460e-04
Coefficient D			1.63500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.88	J/mol×K	273.00	Calculated Property
Cp,gas	229.49	J/mol×K	353.78	Calculated Property
Cp,gas	267.44	J/mol×K	434.56	Calculated Property
Cp,gas	300.26	J/mol×K	515.33	Calculated Property
Cp,gas	328.46	J/mol×K	596.11	Calculated Property
Cp,gas	352.57	J/mol×K	676.89	Calculated Property
Cp,gas	373.09	J/mol×K	757.67	Calculated Property
Cp,gas	390.55	J/mol×K	838.44	Calculated Property
Cp,gas	405.46	J/mol×K	919.22	Calculated Property
Cp,gas	418.34	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,7-Dimethyl-1-thiaindene sulfone.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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