- InChI
- InChI=1S/C12H13N/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-8,10H,1-2H3/b12-8+
- InChI Key
- HEMJEFCPWMCERS-XYOKQWHBSA-N
- Formula
- C12H13N
- SMILES
- CC(C)C=C(C#N)c1ccccc1
- Molecular Weight1
- 171.24
- CAS
- 6519-10-4
- 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° | 364.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 212.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.59 | Crippen Calculated Property | |
| logPoct/wat | 3.250 | Crippen Calculated Property | |
| McVol | 153.260 | ml/mol | McGowan Calculated Property |
| Pc | 2502.50 | kPa | Joback Calculated Property |
| Tboil | 606.32 | K | Joback Calculated Property |
| Tc | 840.13 | K | Joback Calculated Property |
| Tfus | 282.37 | K | Joback Calculated Property |
| Vc | 0.601 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.66; 432.28] | J/mol×K | [606.32; 840.13] | 
|
| Cp,gas | 361.66 | J/mol×K | 606.32 | Joback Calculated Property |
| Cp,gas | 375.71 | J/mol×K | 645.29 | Joback Calculated Property |
| Cp,gas | 388.76 | J/mol×K | 684.26 | Joback Calculated Property |
| Cp,gas | 400.87 | J/mol×K | 723.23 | Joback Calculated Property |
| Cp,gas | 412.11 | J/mol×K | 762.19 | Joback Calculated Property |
| Cp,gas | 422.56 | J/mol×K | 801.16 | Joback Calculated Property |
| Cp,gas | 432.28 | J/mol×K | 840.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-2-phenyl-pent-2-enenitrile.
Sources
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