Chemical Properties of Benzenesulphonic acid, 4-(4-undecyl)-, methyl ester

InChI

InChI=1S/C18H30O3S/c1-4-6-7-8-9-11-16(10-5-2)17-12-14-18(15-13-17)22(19,20)21-3/h12-16H,4-11H2,1-3H3

InChI Key

WQBWCYZZHOPYIQ-UHFFFAOYSA-N

Formula

C18H30O3S

SMILES

CCCCCCCC(CCC)c1ccc(S(=O)(=O)OC)cc1

Molecular Weight¹

326.49

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[781.81; 877.70]	J/mol×K	[712.86; 898.80]
Cp,gas	781.81	J/mol×K	712.86	Joback Calculated Property
Cp,gas	800.41	J/mol×K	743.85	Joback Calculated Property
Cp,gas	817.95	J/mol×K	774.84	Joback Calculated Property
Cp,gas	834.43	J/mol×K	805.83	Joback Calculated Property
Cp,gas	849.87	J/mol×K	836.82	Joback Calculated Property
Cp,gas	864.29	J/mol×K	867.81	Joback Calculated Property
Cp,gas	877.70	J/mol×K	898.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulphonic acid, 4-(4-undecyl)-, methyl ester.

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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