- InChI
- InChI=1S/C12H13N/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-9H,2-3H2,1H3/b12-7+
- InChI Key
- UYBGOPSMJQAVEH-KPKJPENVSA-N
- Formula
- C12H13N
- SMILES
- CCCC=C(C#N)c1ccccc1
- Molecular Weight1
- 171.24
- CAS
- 6519-09-1
- Other Names
-
- Benzeneacetonitrile, «alpha»-butylidene-
- 2-Hexenenitrile, 2-phenyl
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- 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 | 0.4645 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -6759.84 | kJ/mol | NIST |
| ΔfG° | 367.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 226.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 179.70 | kJ/mol | NIST |
| ΔfusH° | 21.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.394 | Crippen Calculated Property | |
| McVol | 153.260 | ml/mol | McGowan Calculated Property |
| Pc | 2482.59 | kPa | Joback Calculated Property |
| Tboil | 536.65 | K | Relay (1.0) Calculated Property |
| Tc | 761.01 | K | Relay (1.0) Calculated Property |
| Tfus | 273.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.547 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.20; 430.44] | J/mol×K | [606.76; 835.59] | 
|
| Cp,gas | 361.20 | J/mol×K | 606.76 | Joback Calculated Property |
| Cp,gas | 374.91 | J/mol×K | 644.90 | Joback Calculated Property |
| Cp,gas | 387.66 | J/mol×K | 683.04 | Joback Calculated Property |
| Cp,gas | 399.52 | J/mol×K | 721.18 | Joback Calculated Property |
| Cp,gas | 410.56 | J/mol×K | 759.31 | Joback Calculated Property |
| Cp,gas | 420.84 | J/mol×K | 797.45 | Joback Calculated Property |
| Cp,gas | 430.44 | J/mol×K | 835.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenyl-hex-2-enenitrile.
Sources
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