Chemical Properties of Trichloroacetic acid, 4-chlorophenyl ester

InChI

InChI=1S/C8H4Cl4O2/c9-5-1-3-6(4-2-5)14-7(13)8(10,11)12/h1-4H

InChI Key

UAMJIPWXLGMBPW-UHFFFAOYSA-N

Formula

C8H4Cl4O2

SMILES

O=C(Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl

Molecular Weight¹

273.93

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[188.98; 353.15]	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			2.85100e+01
Coefficient B			7.23600e-01
Coefficient C			-5.34360e-04
Coefficient D			1.35400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.98	J/mol×K	273.00	Calculated Property
Cp,gas	223.62	J/mol×K	353.78	Calculated Property
Cp,gas	253.16	J/mol×K	434.56	Calculated Property
Cp,gas	278.03	J/mol×K	515.33	Calculated Property
Cp,gas	298.65	J/mol×K	596.11	Calculated Property
Cp,gas	315.47	J/mol×K	676.89	Calculated Property
Cp,gas	328.90	J/mol×K	757.67	Calculated Property
Cp,gas	339.37	J/mol×K	838.44	Calculated Property
Cp,gas	347.31	J/mol×K	919.22	Calculated Property
Cp,gas	353.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017870; 0.0001823]	Pa×s	[383.29; 608.89]	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			-1.24881e+01
Coefficient B			2.36142e+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.			383.29
Temperature range, max.			608.89
η	0.0017870	Pa×s	383.29	Calculated Property
η	0.0012243	Pa×s	408.36	Calculated Property
η	0.0008763	Pa×s	433.42	Calculated Property
η	0.0006505	Pa×s	458.49	Calculated Property
η	0.0004981	Pa×s	483.56	Calculated Property
η	0.0003916	Pa×s	508.62	Calculated Property
η	0.0003148	Pa×s	533.69	Calculated Property
η	0.0002582	Pa×s	558.76	Calculated Property
η	0.0002153	Pa×s	583.82	Calculated Property
η	0.0001823	Pa×s	608.89	Calculated Property

Similar Compounds

Find more compounds similar to Trichloroacetic acid, 4-chlorophenyl 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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