Chemical Properties of Propionic acid, 2,3,3-trichloro-2-chloromethyl, methyl ester

InChI

InChI=1S/C5H6Cl4O2/c1-4(6,3(10)11-2)5(7,8)9/h1-2H3

InChI Key

SXFXKYUOFMJTPS-UHFFFAOYSA-N

Formula

C5H6Cl4O2

SMILES

COC(=O)C(C)(Cl)C(Cl)(Cl)Cl

Molecular Weight¹

239.91

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	[178.59; 321.41]	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			2.63700e+01
Coefficient B			7.02840e-01
Coefficient C			-5.78800e-04
Coefficient D			1.71000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.59	J/mol×K	273.00	Calculated Property
Cp,gas	210.15	J/mol×K	353.78	Calculated Property
Cp,gas	236.53	J/mol×K	434.56	Calculated Property
Cp,gas	258.26	J/mol×K	515.33	Calculated Property
Cp,gas	275.89	J/mol×K	596.11	Calculated Property
Cp,gas	289.95	J/mol×K	676.89	Calculated Property
Cp,gas	301.00	J/mol×K	757.67	Calculated Property
Cp,gas	309.56	J/mol×K	838.44	Calculated Property
Cp,gas	316.19	J/mol×K	919.22	Calculated Property
Cp,gas	321.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049951; 0.0002551]	Pa×s	[312.96; 520.13]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.27677e+01
Coefficient B			2.33732e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			312.96
Temperature range, max.			520.13
η	0.0049951	Pa×s	312.96	Calculated Property
η	0.0029945	Pa×s	335.98	Calculated Property
η	0.0019169	Pa×s	359.00	Calculated Property
η	0.0012949	Pa×s	382.02	Calculated Property
η	0.0009146	Pa×s	405.03	Calculated Property
η	0.0006706	Pa×s	428.05	Calculated Property
η	0.0005075	Pa×s	451.07	Calculated Property
η	0.0003946	Pa×s	474.09	Calculated Property
η	0.0003141	Pa×s	497.11	Calculated Property
η	0.0002551	Pa×s	520.13	Calculated Property

Similar Compounds

Find more compounds similar to Propionic acid, 2,3,3-trichloro-2-chloromethyl, 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

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