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

Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester

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

Physical Properties

Property Value Unit Source
Δf -109.92 kJ/mol Joback Calculated Property
Δfgas -363.58 kJ/mol Joback Calculated Property
Δfus 24.55 kJ/mol Joback Calculated Property
Δvap 56.70 kJ/mol Joback Calculated Property
logPoct/wat 1.86 Crippen Calculated Property
Pc 2890.51 kPa Joback Calculated Property
Tboil 606.19 K Joback Calculated Property
Tc 833.43 K Joback Calculated Property
Tfus 387.75 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 409.72 J/mol×K 606.19 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-O- (ring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 1
>C< (ring) 1
-CH3 2
>CH- (ring) 1

Similar Compounds

Oxiranecarboxylic acid, 3-phenyl-, ethyl ester. 1,4-Dioxane-2-carboxylic acid, 3-phenyl, ethyl ester. Propanoic acid, 2,3-diethoxy-3-phenyl, ethyl ester, erythro. Propanoic acid, 2,3-diethoxy-3-phenyl, ethyl ester, threo. 1,4-Dioxepane-2-carboxylic acid, 3-phenyl, ethyl ester, cis. 1,4-Dioxepane-2-carboxylic acid, 3-phenyl, ethyl ester, trans. Cyclopropane-1-carboxylic acid, 2-methoxy-2-phenyl, ethyl ester, trans. Cyclopropane-1-carboxylic acid, 2-methoxy-2-phenyl, ethyl ester, cis. Oxiranecarbonitrile, 3-methyl-3-phenyl-. Phenbutrazate. 4-Piperidyl cyclohexylphenylglycolate. 4-Piperidyl cyclopentylphenylglycolate. 1-Methyl-4-piperidyl cyclohexylphenylglycolate. Mandelic acid, .alpha.-cyclopentyl-, 1-methyl-4-piperidyl ester. Calacorene oxide.

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