Chemical Properties of Benzenesulphonic acid, 4-(3-dodecyl)-, methyl ester

InChI

InChI=1S/C19H32O3S/c1-4-6-7-8-9-10-11-12-17(5-2)18-13-15-19(16-14-18)23(20,21)22-3/h13-17H,4-12H2,1-3H3

InChI Key

RXGVBSSJMOZDLS-UHFFFAOYSA-N

Formula

C19H32O3S

SMILES

CCCCCCCCCC(CC)c1ccc(S(=O)(=O)OC)cc1

Molecular Weight¹

340.52

• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[414.94; 966.26]	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			2.30690e+01
Coefficient B			1.64675e+00
Coefficient C			-8.00560e-04
Coefficient D			9.70000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	414.94	J/mol×K	273.00	Calculated Property
Cp,gas	509.75	J/mol×K	353.78	Calculated Property
Cp,gas	595.46	J/mol×K	434.56	Calculated Property
Cp,gas	672.37	J/mol×K	515.33	Calculated Property
Cp,gas	740.78	J/mol×K	596.11	Calculated Property
Cp,gas	801.02	J/mol×K	676.89	Calculated Property
Cp,gas	853.38	J/mol×K	757.67	Calculated Property
Cp,gas	898.17	J/mol×K	838.44	Calculated Property
Cp,gas	935.69	J/mol×K	919.22	Calculated Property
Cp,gas	966.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulphonic acid, 4-(3-dodecyl)-, 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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