Chemical Properties of Acetoxyacetic acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C12H14O4/c1-8-4-9(2)6-11(5-8)16-12(14)7-15-10(3)13/h4-6H,7H2,1-3H3

InChI Key

YEBVCEUKWIPVEU-UHFFFAOYSA-N

Formula

C12H14O4

SMILES

CC(=O)OCC(=O)Oc1cc(C)cc(C)c1

Molecular Weight¹

222.24

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.84	kJ/mol	Joback Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-3.10		Relay (1.0) Calculated Property
logPoct/wat	1.772		Crippen Calculated Property
McVol	171.060	ml/mol	McGowan Calculated Property
Inp	[1577.00; 1577.00]
Inp	1577.00		NIST
Inp	1577.00		NIST
Tboil	563.85	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[427.83; 497.14]	J/mol×K	[627.24; 835.82]
Cp,gas	427.83	J/mol×K	627.24	Joback Calculated Property
Cp,gas	441.51	J/mol×K	662.00	Joback Calculated Property
Cp,gas	454.34	J/mol×K	696.77	Joback Calculated Property
Cp,gas	466.31	J/mol×K	731.53	Joback Calculated Property
Cp,gas	477.44	J/mol×K	766.29	Joback Calculated Property
Cp,gas	487.72	J/mol×K	801.06	Joback Calculated Property
Cp,gas	497.14	J/mol×K	835.82	Joback Calculated Property
η	[0.0001201; 0.0015025]	Pa×s	[361.12; 627.24]
η	0.0015025	Pa×s	361.12	Joback Calculated Property
η	0.0007832	Pa×s	405.47	Joback Calculated Property
η	0.0004643	Pa×s	449.83	Joback Calculated Property
η	0.0003023	Pa×s	494.18	Joback Calculated Property
η	0.0002112	Pa×s	538.53	Joback Calculated Property
η	0.0001559	Pa×s	582.89	Joback Calculated Property
η	0.0001201	Pa×s	627.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetic acid, 3,5-dimethylphenyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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