- InChI
- InChI=1S/C11H11N/c1-2-6-11(9-12)10-7-4-3-5-8-10/h3-8H,2H2,1H3/b11-6+
- InChI Key
- VSWFBCVGAVHYAX-IZZDOVSWSA-N
- Formula
- C11H11N
- SMILES
- CCC=C(C#N)c1ccccc1
- Molecular Weight1
- 157.21
- CAS
- 6519-08-0
- 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 | -6103.74 | kJ/mol | NIST |
| ΔfG° | 359.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 238.47 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 203.00 | kJ/mol | NIST |
| ΔfusH° | 18.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 3.004 | Crippen Calculated Property | |
| McVol | 139.170 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| Tboil | 583.88 | K | Joback Calculated Property |
| Tc | 817.29 | K | Joback Calculated Property |
| Tfus | 286.10 | K | Joback Calculated Property |
| Vc | 0.550 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.11; 379.03] | J/mol×K | [583.88; 817.29] | 
|
| Cp,gas | 314.11 | J/mol×K | 583.88 | Joback Calculated Property |
| Cp,gas | 327.05 | J/mol×K | 622.78 | Joback Calculated Property |
| Cp,gas | 339.05 | J/mol×K | 661.68 | Joback Calculated Property |
| Cp,gas | 350.18 | J/mol×K | 700.59 | Joback Calculated Property |
| Cp,gas | 360.51 | J/mol×K | 739.49 | Joback Calculated Property |
| Cp,gas | 370.10 | J/mol×K | 778.39 | Joback Calculated Property |
| Cp,gas | 379.03 | J/mol×K | 817.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenyl-peny-2-enenitrile.
Sources
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