Chemical Properties of Acetoxyacetic acid, (4-chlorophenyl)methyl ester

InChI

InChI=1S/C11H11ClO4/c1-8(13)15-7-11(14)16-6-9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3

InChI Key

IUAPHMNPPYPAAC-UHFFFAOYSA-N

Formula

C11H11ClO4

SMILES

CC(=O)OCC(=O)OCc1ccc(Cl)cc1

Molecular Weight¹

242.66

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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 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	[230.21; 489.75]	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			3.69920e+01
Coefficient B			8.07620e-01
Coefficient C			-3.69960e-04
Coefficient D			1.51000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.21	J/mol×K	273.00	Calculated Property
Cp,gas	277.07	J/mol×K	353.78	Calculated Property
Cp,gas	319.32	J/mol×K	434.56	Calculated Property
Cp,gas	357.00	J/mol×K	515.33	Calculated Property
Cp,gas	390.16	J/mol×K	596.11	Calculated Property
Cp,gas	418.84	J/mol×K	676.89	Calculated Property
Cp,gas	443.09	J/mol×K	757.67	Calculated Property
Cp,gas	462.96	J/mol×K	838.44	Calculated Property
Cp,gas	478.50	J/mol×K	919.22	Calculated Property
Cp,gas	489.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017442; 0.0001611]	Pa×s	[367.25; 596.02]	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			-1.25573e+01
Coefficient B			2.27912e+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.			367.25
Temperature range, max.			596.02
η	0.0017442	Pa×s	367.25	Calculated Property
η	0.0011672	Pa×s	392.67	Calculated Property
η	0.0008201	Pa×s	418.09	Calculated Property
η	0.0006000	Pa×s	443.51	Calculated Property
η	0.0004542	Pa×s	468.93	Calculated Property
η	0.0003537	Pa×s	494.35	Calculated Property
η	0.0002823	Pa×s	519.77	Calculated Property
η	0.0002301	Pa×s	545.19	Calculated Property
η	0.0001910	Pa×s	570.61	Calculated Property
η	0.0001611	Pa×s	596.02	Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetic acid, (4-chlorophenyl)methyl 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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