Chemical Properties of 1-Methyl-4-(2-methyl-1-propenylsulphonyl)-benzene

InChI

InChI=1S/C11H14O2S/c1-9(2)8-14(12,13)11-6-4-10(3)5-7-11/h4-8H,1-3H3

InChI Key

MRTWSQJEIUUJDE-UHFFFAOYSA-N

Formula

C11H14O2S

SMILES

CC(C)=CS(=O)(=O)c1ccc(C)cc1

Molecular Weight¹

210.30

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• 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 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	[216.29; 503.64]	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			-7.35000e+00
Coefficient B			9.63950e-01
Coefficient C			-5.59260e-04
Coefficient D			1.06300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.29	J/mol×K	273.00	Calculated Property
Cp,gas	268.38	J/mol×K	353.78	Calculated Property
Cp,gas	314.65	J/mol×K	434.56	Calculated Property
Cp,gas	355.43	J/mol×K	515.33	Calculated Property
Cp,gas	391.06	J/mol×K	596.11	Calculated Property
Cp,gas	421.86	J/mol×K	676.89	Calculated Property
Cp,gas	448.19	J/mol×K	757.67	Calculated Property
Cp,gas	470.37	J/mol×K	838.44	Calculated Property
Cp,gas	488.74	J/mol×K	919.22	Calculated Property
Cp,gas	503.64	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyl-4-(2-methyl-1-propenylsulphonyl)-benzene.

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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