Chemical Properties of Acetoxyacetic acid, phenylmethyl ester

InChI

InChI=1S/C11H12O4/c1-9(12)14-8-11(13)15-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChI Key

ODZBRLHIJUSHGV-UHFFFAOYSA-N

Formula

C11H12O4

SMILES

CC(=O)OCC(=O)OCc1ccccc1

Molecular Weight¹

208.21

• 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).
• 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, 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	[214.25; 484.52]	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			9.80200e+00
Coefficient B			8.60320e-01
Coefficient C			-4.16600e-04
Coefficient D			3.10000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.25	J/mol×K	273.00	Calculated Property
Cp,gas	263.40	J/mol×K	353.78	Calculated Property
Cp,gas	307.53	J/mol×K	434.56	Calculated Property
Cp,gas	346.76	J/mol×K	515.33	Calculated Property
Cp,gas	381.18	J/mol×K	596.11	Calculated Property
Cp,gas	410.88	J/mol×K	676.89	Calculated Property
Cp,gas	435.97	J/mol×K	757.67	Calculated Property
Cp,gas	456.54	J/mol×K	838.44	Calculated Property
Cp,gas	472.69	J/mol×K	919.22	Calculated Property
Cp,gas	484.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028419; 0.0001706]	Pa×s	[324.81; 563.10]	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			-1.25104e+01
Coefficient B			2.15906e+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.			324.81
Temperature range, max.			563.10
η	0.0028419	Pa×s	324.81	Calculated Property
η	0.0017220	Pa×s	351.29	Calculated Property
η	0.0011193	Pa×s	377.76	Calculated Property
η	0.0007698	Pa×s	404.24	Calculated Property
η	0.0005543	Pa×s	430.72	Calculated Property
η	0.0004147	Pa×s	457.19	Calculated Property
η	0.0003202	Pa×s	483.67	Calculated Property
η	0.0002540	Pa×s	510.15	Calculated Property
η	0.0002061	Pa×s	536.62	Calculated Property
η	0.0001706	Pa×s	563.10	Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetic acid, phenylmethyl 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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