Chemical Properties of 2,4,5-Trichlorophenyl trichloroacetate (CAS 25438-23-7)

InChI

InChI=1S/C8H2Cl6O2/c9-3-1-5(11)6(2-4(3)10)16-7(15)8(12,13)14/h1-2H

InChI Key

REMBFCXQZGOYLI-UHFFFAOYSA-N

Formula

C8H2Cl6O2

SMILES

O=C(Oc1cc(Cl)c(Cl)cc1Cl)C(Cl)(Cl)Cl

Molecular Weight¹

342.82

CAS

25438-23-7

• 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).
• 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, 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	[220.89; 363.61]	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			8.28900e+01
Coefficient B			6.18200e-01
Coefficient C			-4.41080e-04
Coefficient D			1.03600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.89	J/mol×K	273.00	Calculated Property
Cp,gas	250.98	J/mol×K	353.78	Calculated Property
Cp,gas	276.74	J/mol×K	434.56	Calculated Property
Cp,gas	298.51	J/mol×K	515.33	Calculated Property
Cp,gas	316.61	J/mol×K	596.11	Calculated Property
Cp,gas	331.38	J/mol×K	676.89	Calculated Property
Cp,gas	343.13	J/mol×K	757.67	Calculated Property
Cp,gas	352.21	J/mol×K	838.44	Calculated Property
Cp,gas	358.92	J/mol×K	919.22	Calculated Property
Cp,gas	363.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008194; 0.0001510]	Pa×s	[468.17; 673.00]	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			-1.26638e+01
Coefficient B			2.60154e+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.			468.17
Temperature range, max.			673.00
η	0.0008194	Pa×s	468.17	Calculated Property
η	0.0006333	Pa×s	490.93	Calculated Property
η	0.0005008	Pa×s	513.69	Calculated Property
η	0.0004040	Pa×s	536.45	Calculated Property
η	0.0003316	Pa×s	559.21	Calculated Property
η	0.0002764	Pa×s	581.96	Calculated Property
η	0.0002336	Pa×s	604.72	Calculated Property
η	0.0001999	Pa×s	627.48	Calculated Property
η	0.0001729	Pa×s	650.24	Calculated Property
η	0.0001510	Pa×s	673.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-Trichlorophenyl 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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