- InChI
- InChI=1S/C12H11NO2/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-8H,2H2,1H3/b11-8+
- InChI Key
- KCDAMWRCUXGACP-DHZHZOJOSA-N
- Formula
- C12H11NO2
- SMILES
- CCOC(=O)C(C#N)=Cc1ccccc1
- Molecular Weight1
- 201.22
- CAS
- 2025-40-3
- Other Names
-
- Ethyl «alpha»-cyanocinnamate
- Ethyl-«alpha»-benzalcyanoacetate
- «alpha»-Cyanocinnamic acid ethyl ester
- Cinnamic acid, «alpha»-cyano-, ethyl ester
- Ethyl benzylidenecyanoacetate
- Cinnamic acid, alpha-cyano-, ethyl ester
- Benzylidenecyanoacetic acid ethyl ester
- Ethyl alpha-benzylidenecyanoacetate
- Ethyl alpha-cyanocinnamate
- Ethyl 2-benzylidene-2-cyanoacetate
- Ethyl 2-cyanocinnamate
- Ethyl 3-phenyl-2-cyano-2-propenoate
- 2-Cyano-3-phenyl- 2-propenoic acid, ethyl ester
- Ethyl 2-cyano-3-phenyl-2-propenoate
- NSC 8904
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 133.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -26.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.70 | Crippen Calculated Property | |
| logPoct/wat | 2.157 | Crippen Calculated Property | |
| McVol | 160.700 | ml/mol | McGowan Calculated Property |
| Pc | 2600.43 | kPa | Joback Calculated Property |
| Tboil | 683.05 | K | Joback Calculated Property |
| Tc | 915.03 | K | Joback Calculated Property |
| Tfus | 369.53 | K | Joback Calculated Property |
| Vc | 0.630 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.39; 457.60] | J/mol×K | [683.05; 915.03] | 
|
| Cp,gas | 398.39 | J/mol×K | 683.05 | Joback Calculated Property |
| Cp,gas | 410.28 | J/mol×K | 721.71 | Joback Calculated Property |
| Cp,gas | 421.29 | J/mol×K | 760.38 | Joback Calculated Property |
| Cp,gas | 431.48 | J/mol×K | 799.04 | Joback Calculated Property |
| Cp,gas | 440.90 | J/mol×K | 837.71 | Joback Calculated Property |
| Cp,gas | 449.59 | J/mol×K | 876.37 | Joback Calculated Property |
| Cp,gas | 457.60 | J/mol×K | 915.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 2-cyano-3-phenyl-, ethyl ester.
Sources
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