Chemical Properties of Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester (CAS 77-83-8)

InChI

InChI=1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3

InChI Key

LQKRYVGRPXFFAV-UHFFFAOYSA-N

Formula

C12H14O3

SMILES

CCOC(=O)C1OC1(C)c1ccccc1

Molecular Weight¹

206.24

CAS

77-83-8

Other Names

• Hydrocinnamic acid, «alpha»,«beta»-epoxy-«beta»-methyl-, ethyl ester
• «alpha»,«beta»-Epoxy-«beta»-methylhydrocinnamic acid, ethyl ester
• Ethyl «alpha»,«beta»-epoxy-«beta»-methylhydrocinnamate
• Ethyl methylphenylglycidate
• Fraeseol
• 3-Methyl-3-phenylglycidic acid ethyl ester
• Ethyl «beta»-methyl-«beta»-phenylglycidate
• Ethyl ester of 2,3-epoxy-3-phenylbutanoic acid
• Ethyl 2,3-epoxy-3-methyl-3-phenylpropionate
• EMPG
• 2,3-Epoxy-3-phenylbutyric acid, ethyl ester
• Glycidic acid, 3-methyl-3-phenyl, ethyl ester
• 2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester
• Aldehyde C-16
• Ethyl 3-methyl-3-phenylglycidate
• NSC 27905
• Strawberry aldehyde
• ethyl 2,3-epoxy-3-phenylbutyrate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4703		Relay (1.0) Calculated Property
ΔfusH°	24.55	kJ/mol	Joback Calculated Property
ΔvapH°	76.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-1.82		Relay (1.0) Calculated Property
logPoct/wat	1.864		Crippen Calculated Property
McVol	158.630	ml/mol	McGowan Calculated Property
Pc	2890.51	kPa	Joback Calculated Property
Inp	[1517.00; 1517.00]
Inp	1517.00		NIST
Inp	1517.00		NIST
Tboil	518.59	K	Relay (1.0) Calculated Property
Tc	751.53	K	Relay (1.0) Calculated Property
Tfus	278.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[409.72; 489.34]	J/mol×K	[606.19; 833.43]
Cp,gas	409.72	J/mol×K	606.19	Joback Calculated Property
Cp,gas	424.92	J/mol×K	644.06	Joback Calculated Property
Cp,gas	439.15	J/mol×K	681.94	Joback Calculated Property
Cp,gas	452.55	J/mol×K	719.81	Joback Calculated Property
Cp,gas	465.29	J/mol×K	757.68	Joback Calculated Property
Cp,gas	477.50	J/mol×K	795.55	Joback Calculated Property
Cp,gas	489.34	J/mol×K	833.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• 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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