- 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.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4703 | Relay (... Calculated Property | |
| ΔfG° | -109.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -430.86 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.95 | kJ/mol | Relay (... Calculated Property |
| IE | 8.73 | eV | Relay (... Calculated Property |
| log10WS | -1.82 | Relay (... 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 (... Calculated Property |
| Tc | 748.71 | K | Relay (... Calculated Property |
| Tfus | 283.10 | K | Relay (... Calculated Property |
| Vc | 0.593 | m3/kmol | Relay (... Calculated Property |
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
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