Chemical Properties of 2,2,2-Trichloroethyl (E)-2-methylbut-2-enoate

InChI

InChI=1S/C7H9Cl3O2/c1-3-5(2)6(11)12-4-7(8,9)10/h3H,4H2,1-2H3/b5-3+

InChI Key

FUVRPWLCAOGXMX-HWKANZROSA-N

Formula

C7H9Cl3O2

SMILES

C/C=C(\C)C(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

231.51

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, Ionization energy, 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	[195.22; 384.00]	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			2.22610e+01
Coefficient B			7.80140e-01
Coefficient C			-5.81500e-04
Coefficient D			1.63100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.22	J/mol×K	273.00	Calculated Property
Cp,gas	232.70	J/mol×K	353.78	Calculated Property
Cp,gas	264.85	J/mol×K	434.56	Calculated Property
Cp,gas	292.19	J/mol×K	515.33	Calculated Property
Cp,gas	315.23	J/mol×K	596.11	Calculated Property
Cp,gas	334.48	J/mol×K	676.89	Calculated Property
Cp,gas	350.47	J/mol×K	757.67	Calculated Property
Cp,gas	363.71	J/mol×K	838.44	Calculated Property
Cp,gas	374.72	J/mol×K	919.22	Calculated Property
Cp,gas	384.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,2,2-Trichloroethyl (E)-2-methylbut-2-enoate.

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

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