Chemical Properties of Dichloroacetic acid, 3,4-dichlorophenyl ester

InChI

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

InChI Key

VEVXIXJKVRAVCE-UHFFFAOYSA-N

Formula

C8H4Cl4O2

SMILES

O=C(Oc1ccc(Cl)c(Cl)c1)C(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).
• 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.
• 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	[192.68; 349.18]	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			6.56000e+01
Coefficient B			5.44200e-01
Coefficient C			-2.98720e-04
Coefficient D			3.81000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.68	J/mol×K	273.00	Calculated Property
Cp,gas	222.43	J/mol×K	353.78	Calculated Property
Cp,gas	248.80	J/mol×K	434.56	Calculated Property
Cp,gas	271.93	J/mol×K	515.33	Calculated Property
Cp,gas	291.92	J/mol×K	596.11	Calculated Property
Cp,gas	308.91	J/mol×K	676.89	Calculated Property
Cp,gas	323.01	J/mol×K	757.67	Calculated Property
Cp,gas	334.34	J/mol×K	838.44	Calculated Property
Cp,gas	343.02	J/mol×K	919.22	Calculated Property
Cp,gas	349.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016211; 0.0001979]	Pa×s	[378.39; 607.99]	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			-1.19941e+01
Coefficient B			2.10744e+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.			378.39
Temperature range, max.			607.99
η	0.0016211	Pa×s	378.39	Calculated Property
η	0.0011404	Pa×s	403.90	Calculated Property
η	0.0008364	Pa×s	429.41	Calculated Property
η	0.0006352	Pa×s	454.92	Calculated Property
η	0.0004967	Pa×s	480.43	Calculated Property
η	0.0003981	Pa×s	505.95	Calculated Property
η	0.0003260	Pa×s	531.46	Calculated Property
η	0.0002718	Pa×s	556.97	Calculated Property
η	0.0002303	Pa×s	582.48	Calculated Property
η	0.0001979	Pa×s	607.99	Calculated Property

Similar Compounds

Find more compounds similar to Dichloroacetic acid, 3,4-dichlorophenyl 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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