- InChI
- InChI=1S/C13H15N/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9,11H,8H2,1-2H3/b13-9+
- InChI Key
- CLDPKOSCBSRXFB-UKTHLTGXSA-N
- Formula
- C13H15N
- SMILES
- CC(C)CC=C(C#N)c1ccccc1
- Molecular Weight1
- 185.26
- CAS
- 6519-11-5
- 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 | -7406.47 | kJ/mol | NIST |
| ΔfG° | 373.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 191.91 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 147.00 | kJ/mol | NIST |
| ΔfusH° | 20.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.94 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.640 | Crippen Calculated Property | |
| McVol | 167.350 | ml/mol | McGowan Calculated Property |
| Pc | 2278.41 | kPa | Joback Calculated Property |
| Tboil | 629.20 | K | Joback Calculated Property |
| Tc | 858.39 | K | Joback Calculated Property |
| Tfus | 293.64 | K | Joback Calculated Property |
| Vc | 0.656 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.33; 484.68] | J/mol×K | [629.20; 858.39] | 
|
| Cp,gas | 410.33 | J/mol×K | 629.20 | Joback Calculated Property |
| Cp,gas | 425.04 | J/mol×K | 667.40 | Joback Calculated Property |
| Cp,gas | 438.72 | J/mol×K | 705.60 | Joback Calculated Property |
| Cp,gas | 451.46 | J/mol×K | 743.80 | Joback Calculated Property |
| Cp,gas | 463.32 | J/mol×K | 782.00 | Joback Calculated Property |
| Cp,gas | 474.37 | J/mol×K | 820.20 | Joback Calculated Property |
| Cp,gas | 484.68 | J/mol×K | 858.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methyl-2-phenyl-hex-2-enenitrile.
Sources
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