Chemical Properties of Acetic acid, [(4-methylphenyl)sulfonyl]-, ethyl ester (CAS 2850-19-3)

InChI

InChI=1S/C11H14O4S/c1-3-15-11(12)8-16(13,14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3

InChI Key

VDXYJUBMHZEPOQ-UHFFFAOYSA-N

Formula

C11H14O4S

SMILES

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

Molecular Weight¹

242.29

CAS

2850-19-3

Other Names

• Acetic acid, (p-tolylsulfonyl)-, ethyl ester
• Ethyl 2-(para-tolylsulfonyl)-acetate
• Ethyl «alpha»-(p-toluenesulfonyl)acetate
• Ethyl «alpha»-(p-tolylsulfonyl)acetate
• ethyl (4-tolylsulphonyl)acetate

• C_p,gas : Ideal gas 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[246.48; 542.60]	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			3.19320e+01
Coefficient B			8.89230e-01
Coefficient C			-3.78560e-04
Coefficient D			-2.64698e-23
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.48	J/mol×K	273.00	Calculated Property
Cp,gas	299.14	J/mol×K	353.78	Calculated Property
Cp,gas	346.87	J/mol×K	434.56	Calculated Property
Cp,gas	389.65	J/mol×K	515.33	Calculated Property
Cp,gas	427.49	J/mol×K	596.11	Calculated Property
Cp,gas	460.39	J/mol×K	676.89	Calculated Property
Cp,gas	488.36	J/mol×K	757.67	Calculated Property
Cp,gas	511.38	J/mol×K	838.44	Calculated Property
Cp,gas	529.46	J/mol×K	919.22	Calculated Property
Cp,gas	542.60	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, [(4-methylphenyl)sulfonyl]-, ethyl 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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