- InChI
- InChI=1S/C13H15N/c1-2-3-5-10-13(11-14)12-8-6-4-7-9-12/h4,6-10H,2-3,5H2,1H3/b13-10+
- InChI Key
- YFEFSOGDFAEYCS-JLHYYAGUSA-N
- Formula
- C13H15N
- SMILES
- CCCCC=C(C#N)c1ccccc1
- Molecular Weight1
- 185.26
- CAS
- 6702-34-7
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -7418.57 | kJ/mol | NIST |
| ΔfG° | 375.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 197.19 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 159.10 | kJ/mol | NIST |
| ΔfusH° | 23.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.32 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 3.784 | Crippen Calculated Property | |
| McVol | 167.350 | ml/mol | McGowan Calculated Property |
| Pc | 2261.11 | kPa | Joback Calculated Property |
| Tboil | 629.64 | K | Joback Calculated Property |
| Tc | 854.13 | K | Joback Calculated Property |
| Tfus | 308.64 | K | Joback Calculated Property |
| Vc | 0.662 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.85; 482.84] | J/mol×K | [629.64; 854.13] | 
|
| Cp,gas | 409.85 | J/mol×K | 629.64 | Joback Calculated Property |
| Cp,gas | 424.21 | J/mol×K | 667.06 | Joback Calculated Property |
| Cp,gas | 437.61 | J/mol×K | 704.47 | Joback Calculated Property |
| Cp,gas | 450.10 | J/mol×K | 741.89 | Joback Calculated Property |
| Cp,gas | 461.76 | J/mol×K | 779.30 | Joback Calculated Property |
| Cp,gas | 472.65 | J/mol×K | 816.72 | Joback Calculated Property |
| Cp,gas | 482.84 | J/mol×K | 854.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenyl-hept-2-enenitrile.
Sources
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