Chemical Properties of 2,4-Dichlorophenyl trichloroacetate (CAS 23399-81-7)

InChI

InChI=1S/C8H3Cl5O2/c9-4-1-2-6(5(10)3-4)15-7(14)8(11,12)13/h1-3H

InChI Key

VNVHPDIADHUZNF-UHFFFAOYSA-N

Formula

C8H3Cl5O2

SMILES

O=C(Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl

Molecular Weight¹

308.37

CAS

23399-81-7

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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	[204.94; 358.38]	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			5.57000e+01
Coefficient B			6.70900e-01
Coefficient C			-4.87720e-04
Coefficient D			1.19500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.94	J/mol×K	273.00	Calculated Property
Cp,gas	237.30	J/mol×K	353.78	Calculated Property
Cp,gas	264.95	J/mol×K	434.56	Calculated Property
Cp,gas	288.27	J/mol×K	515.33	Calculated Property
Cp,gas	307.63	J/mol×K	596.11	Calculated Property
Cp,gas	323.42	J/mol×K	676.89	Calculated Property
Cp,gas	336.01	J/mol×K	757.67	Calculated Property
Cp,gas	345.79	J/mol×K	838.44	Calculated Property
Cp,gas	353.12	J/mol×K	919.22	Calculated Property
Cp,gas	358.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011816; 0.0001667]	Pa×s	[425.73; 641.15]	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			-1.25697e+01
Coefficient B			2.48148e+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.			425.73
Temperature range, max.			641.15
η	0.0011816	Pa×s	425.73	Calculated Property
η	0.0008664	Pa×s	449.67	Calculated Property
η	0.0006555	Pa×s	473.60	Calculated Property
η	0.0005095	Pa×s	497.54	Calculated Property
η	0.0004052	Pa×s	521.47	Calculated Property
η	0.0003288	Pa×s	545.41	Calculated Property
η	0.0002716	Pa×s	569.35	Calculated Property
η	0.0002278	Pa×s	593.28	Calculated Property
η	0.0001937	Pa×s	617.22	Calculated Property
η	0.0001667	Pa×s	641.15	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dichlorophenyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.