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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[380.50; 448.42]	J/mol×K	[594.40; 804.43]
Cp,gas	380.50	J/mol×K	594.40	Joback Calculated Property
Cp,gas	393.98	J/mol×K	629.40	Joback Calculated Property
Cp,gas	406.60	J/mol×K	664.41	Joback Calculated Property
Cp,gas	418.34	J/mol×K	699.41	Joback Calculated Property
Cp,gas	429.22	J/mol×K	734.42	Joback Calculated Property
Cp,gas	439.24	J/mol×K	769.42	Joback Calculated Property
Cp,gas	448.42	J/mol×K	804.43	Joback Calculated Property
η	[0.0001394; 0.0028419]	Pa×s	[324.81; 594.40]
η	0.0028419	Pa×s	324.81	Joback Calculated Property
η	0.0012670	Pa×s	369.74	Joback Calculated Property
η	0.0006730	Pa×s	414.67	Joback Calculated Property
η	0.0004045	Pa×s	459.60	Joback Calculated Property
η	0.0002662	Pa×s	504.54	Joback Calculated Property
η	0.0001876	Pa×s	549.47	Joback Calculated Property
η	0.0001394	Pa×s	594.40	Joback 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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