Chemical Properties of Phenol, pentachloro-, trichloroacetate (CAS 2879-60-9)

InChI

InChI=1S/C8Cl8O2/c9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16

InChI Key

WMUFBMFZOHGUPA-UHFFFAOYSA-N

Formula

C8Cl8O2

SMILES

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

Molecular Weight¹

411.71

CAS

2879-60-9

Other Names

• Acetic acid, trichloro-, pentachlorophenyl ester
• Pentachlorophenyl trichloroacetate

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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, Enthalpy of formation 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	[252.80; 374.07]	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			1.37270e+02
Coefficient B			5.12800e-01
Coefficient C			-3.47800e-04
Coefficient D			7.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.80	J/mol×K	273.00	Calculated Property
Cp,gas	278.34	J/mol×K	353.78	Calculated Property
Cp,gas	300.32	J/mol×K	434.56	Calculated Property
Cp,gas	318.99	J/mol×K	515.33	Calculated Property
Cp,gas	334.57	J/mol×K	596.11	Calculated Property
Cp,gas	347.29	J/mol×K	676.89	Calculated Property
Cp,gas	357.37	J/mol×K	757.67	Calculated Property
Cp,gas	365.04	J/mol×K	838.44	Calculated Property
Cp,gas	370.53	J/mol×K	919.22	Calculated Property
Cp,gas	374.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004340; 0.0001211]	Pa×s	[553.05; 735.79]	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			-1.28807e+01
Coefficient B			2.84166e+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.			553.05
Temperature range, max.			735.79
η	0.0004340	Pa×s	553.05	Calculated Property
η	0.0003618	Pa×s	573.35	Calculated Property
η	0.0003054	Pa×s	593.66	Calculated Property
η	0.0002607	Pa×s	613.96	Calculated Property
η	0.0002248	Pa×s	634.27	Calculated Property
η	0.0001956	Pa×s	654.57	Calculated Property
η	0.0001717	Pa×s	674.87	Calculated Property
η	0.0001518	Pa×s	695.18	Calculated Property
η	0.0001352	Pa×s	715.48	Calculated Property
η	0.0001211	Pa×s	735.79	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, pentachloro-, trichloroacetate.

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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