Chemical Properties of Acetoxyacetic acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C10H6Cl4O4/c1-4(15)17-3-7(16)18-10-6(12)2-5(11)8(13)9(10)14/h2H,3H2,1H3

InChI Key

VMPFYBCJJFVALV-UHFFFAOYSA-N

Formula

C10H6Cl4O4

SMILES

CC(=O)OCC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

331.97

• 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	[256.86; 453.85]	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			1.19471e+02
Coefficient B			5.54520e-01
Coefficient C			-1.75640e-04
Coefficient D			-4.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.86	J/mol×K	273.00	Calculated Property
Cp,gas	291.69	J/mol×K	353.78	Calculated Property
Cp,gas	323.62	J/mol×K	434.56	Calculated Property
Cp,gas	352.50	J/mol×K	515.33	Calculated Property
Cp,gas	378.19	J/mol×K	596.11	Calculated Property
Cp,gas	400.54	J/mol×K	676.89	Calculated Property
Cp,gas	419.43	J/mol×K	757.67	Calculated Property
Cp,gas	434.70	J/mol×K	838.44	Calculated Property
Cp,gas	446.22	J/mol×K	919.22	Calculated Property
Cp,gas	453.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006244; 0.0001362]	Pa×s	[483.30; 679.81]	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			-1.26450e+01
Coefficient B			2.54514e+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.			483.30
Temperature range, max.			679.81
η	0.0006244	Pa×s	483.30	Calculated Property
η	0.0004972	Pa×s	505.13	Calculated Property
η	0.0004036	Pa×s	526.97	Calculated Property
η	0.0003330	Pa×s	548.80	Calculated Property
η	0.0002789	Pa×s	570.64	Calculated Property
η	0.0002366	Pa×s	592.47	Calculated Property
η	0.0002031	Pa×s	614.31	Calculated Property
η	0.0001762	Pa×s	636.14	Calculated Property
η	0.0001543	Pa×s	657.98	Calculated Property
η	0.0001362	Pa×s	679.81	Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetic acid, 2,3,4,6-tetrachlorophenyl 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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