- InChI
- InChI=1S/C11H9NO2/c1-14-11(13)10(8-12)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
- InChI Key
- XLNFLJOWTRDNCX-JXMROGBWSA-N
- Formula
- C11H9NO2
- SMILES
- COC(=O)C(C#N)=Cc1ccccc1
- Molecular Weight1
- 187.19
- CAS
- 3695-84-9
- Other Names
-
- Cinnamic acid, «alpha»-cyano-, methyl ester
- Methyl «alpha»-cyanocinnamate
- Benzal-cyanessigsaeure-methyl-ester
- «alpha»-Cyanocinnamic acid methyl ester
- F 2378
- Methyl benzalcyanoacetate
- 2-Cyano-3-phenyl-propensaeuremethylester
- 2-Cyano-3-phenyl-2-propenoic acid, methyl ester
- Methyl 2-cyano-3-phenyl-2-propenoate
- NSC 163367
- 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° | 125.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.28 | Crippen Calculated Property | |
| logPoct/wat | 1.767 | Crippen Calculated Property | |
| McVol | 146.610 | ml/mol | McGowan Calculated Property |
| Pc | 2875.03 | kPa | Joback Calculated Property |
| Tboil | 660.17 | K | Joback Calculated Property |
| Tc | 896.86 | K | Joback Calculated Property |
| Tfus | 358.26 | K | Joback Calculated Property |
| Vc | 0.575 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.41; 404.80] | J/mol×K | [660.17; 896.86] | 
|
| Cp,gas | 349.41 | J/mol×K | 660.17 | Joback Calculated Property |
| Cp,gas | 360.59 | J/mol×K | 699.62 | Joback Calculated Property |
| Cp,gas | 370.93 | J/mol×K | 739.07 | Joback Calculated Property |
| Cp,gas | 380.48 | J/mol×K | 778.51 | Joback Calculated Property |
| Cp,gas | 389.27 | J/mol×K | 817.96 | Joback Calculated Property |
| Cp,gas | 397.36 | J/mol×K | 857.41 | Joback Calculated Property |
| Cp,gas | 404.80 | J/mol×K | 896.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 2-cyano-3-phenyl-, methyl ester.
Sources
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