Chemical Properties of 2,2,3-Trichloropropionic acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C9H3Cl7O2/c10-2-9(15,16)8(17)18-7-4(12)1-3(11)5(13)6(7)14/h1H,2H2

InChI Key

YWASYKJXJBUOOA-UHFFFAOYSA-N

Formula

C9H3Cl7O2

SMILES

O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)C(Cl)(Cl)CCl

Molecular Weight¹

391.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[258.06; 420.43]	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			1.09171e+02
Coefficient B			6.60500e-01
Coefficient C			-4.48840e-04
Coefficient D			9.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.06	J/mol×K	273.00	Calculated Property
Cp,gas	291.08	J/mol×K	353.78	Calculated Property
Cp,gas	319.61	J/mol×K	434.56	Calculated Property
Cp,gas	343.98	J/mol×K	515.33	Calculated Property
Cp,gas	364.51	J/mol×K	596.11	Calculated Property
Cp,gas	381.50	J/mol×K	676.89	Calculated Property
Cp,gas	395.27	J/mol×K	757.67	Calculated Property
Cp,gas	406.14	J/mol×K	838.44	Calculated Property
Cp,gas	414.42	J/mol×K	919.22	Calculated Property
Cp,gas	420.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005340; 0.0001234]	Pa×s	[521.88; 716.44]	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			-1.29305e+01
Coefficient B			2.81576e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			521.88
Temperature range, max.			716.44
η	0.0005340	Pa×s	521.88	Calculated Property
η	0.0004309	Pa×s	543.50	Calculated Property
η	0.0003534	Pa×s	565.11	Calculated Property
η	0.0002941	Pa×s	586.73	Calculated Property
η	0.0002480	Pa×s	608.35	Calculated Property
η	0.0002116	Pa×s	629.97	Calculated Property
η	0.0001824	Pa×s	651.58	Calculated Property
η	0.0001588	Pa×s	673.20	Calculated Property
η	0.0001394	Pa×s	694.82	Calculated Property
η	0.0001234	Pa×s	716.44	Calculated Property

Similar Compounds

Find more compounds similar to 2,2,3-Trichloropropionic acid, 2,3,4,6-tetrachlorophenyl 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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