- InChI
- InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+
- InChI Key
- ZWKNLRXFUTWSOY-QPJJXVBHSA-N
- Formula
- C9H7N
- SMILES
- N#CC=Cc1ccccc1
- Molecular Weight1
- 129.16
- CAS
- 1885-38-7
- Other Names
-
- trans-Cinnamonitrile
- (E)-Cinnamonitrile
- (E)-3-Phenylacrylonitrile
- trans-«beta»-Phenylacrylonitrile
- trans-3-Phenylpropenonitrile
- Cinnamonitrile, (E)-
- (E)-3-Phenylpropenenitrile
- (E)-3-Phenylprop-2-enenitrile
- 2-Propenenitrile, 3-phenyl-, (2E)-
- NSC 77496
- trans-3-Phenyl-2-propenenitrile
- cinnamonitrile
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 350.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 289.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.58 | Crippen Calculated Property | |
| logPoct/wat | 2.223 | Crippen Calculated Property | |
| McVol | 110.990 | ml/mol | McGowan Calculated Property |
| Pc | 3364.54 | kPa | Joback Calculated Property |
| Inp | [1301.10; 1301.10] |
|
|
| Inp | 1301.10 | NIST | |
| Inp | 1301.10 | NIST | |
| Tboil | 527.70 | K | NIST |
| Tc | 776.63 | K | Joback Calculated Property |
| Tfus | 277.52 | K | Joback Calculated Property |
| Vc | 0.438 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.13; 278.72] | J/mol×K | [538.24; 776.63] |
|
| Cp,gas | 225.13 | J/mol×K | 538.24 | Joback Calculated Property |
| Cp,gas | 235.97 | J/mol×K | 577.97 | Joback Calculated Property |
| Cp,gas | 245.97 | J/mol×K | 617.70 | Joback Calculated Property |
| Cp,gas | 255.18 | J/mol×K | 657.44 | Joback Calculated Property |
| Cp,gas | 263.67 | J/mol×K | 697.17 | Joback Calculated Property |
| Cp,gas | 271.49 | J/mol×K | 736.90 | Joback Calculated Property |
| Cp,gas | 278.72 | J/mol×K | 776.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenenitrile, 3-phenyl-, (E)-.
Sources
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