Chemical Properties of Acetoxyacetic acid, 4-chlorophenyl ester

InChI

InChI=1S/C10H9ClO4/c1-7(12)14-6-10(13)15-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3

InChI Key

XDEZQKYHBPNTOE-UHFFFAOYSA-N

Formula

C10H9ClO4

SMILES

CC(=O)OCC(=O)Oc1ccc(Cl)cc1

Molecular Weight¹

228.63

• 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).
• 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, Enthalpy of vaporization 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	[208.99; 438.16]	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			3.79010e+01
Coefficient B			7.12620e-01
Coefficient C			-3.15560e-04
Coefficient D			3.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.99	J/mol×K	273.00	Calculated Property
Cp,gas	250.66	J/mol×K	353.78	Calculated Property
Cp,gas	288.25	J/mol×K	434.56	Calculated Property
Cp,gas	321.77	J/mol×K	515.33	Calculated Property
Cp,gas	351.25	J/mol×K	596.11	Calculated Property
Cp,gas	376.68	J/mol×K	676.89	Calculated Property
Cp,gas	398.07	J/mol×K	757.67	Calculated Property
Cp,gas	415.44	J/mol×K	838.44	Calculated Property
Cp,gas	428.80	J/mol×K	919.22	Calculated Property
Cp,gas	438.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018734; 0.0001721]	Pa×s	[355.98; 582.62]	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			-1.24179e+01
Coefficient B			2.18496e+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.			355.98
Temperature range, max.			582.62
η	0.0018734	Pa×s	355.98	Calculated Property
η	0.0012489	Pa×s	381.16	Calculated Property
η	0.0008755	Pa×s	406.34	Calculated Property
η	0.0006397	Pa×s	431.53	Calculated Property
η	0.0004838	Pa×s	456.71	Calculated Property
η	0.0003768	Pa×s	481.89	Calculated Property
η	0.0003008	Pa×s	507.07	Calculated Property
η	0.0002454	Pa×s	532.25	Calculated Property
η	0.0002038	Pa×s	557.44	Calculated Property
η	0.0001721	Pa×s	582.62	Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetic acid, 4-chlorophenyl 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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