- InChI
- InChI=1S/C12H15N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8H2
- InChI Key
- BSJKBXNHLQEFMG-UHFFFAOYSA-N
- Formula
- C12H15N
- SMILES
- N#CCCCCCc1ccccc1
- Molecular Weight1
- 173.25
- CAS
- 17777-31-0
- 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).
- Inp : Non-polar retention indices.
- 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° | 295.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 110.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.82 | Crippen Calculated Property | |
| logPoct/wat | 3.313 | Crippen Calculated Property | |
| McVol | 157.560 | ml/mol | McGowan Calculated Property |
| Pc | 2347.36 | kPa | Joback Calculated Property |
| Inp | 1568.10 | NIST | |
| Tboil | 602.72 | K | Joback Calculated Property |
| Tc | 818.18 | K | Joback Calculated Property |
| Tfus | 316.41 | K | Joback Calculated Property |
| Vc | 0.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.06; 454.40] | J/mol×K | [602.72; 818.18] | 
|
| Cp,gas | 382.06 | J/mol×K | 602.72 | Joback Calculated Property |
| Cp,gas | 396.17 | J/mol×K | 638.63 | Joback Calculated Property |
| Cp,gas | 409.41 | J/mol×K | 674.54 | Joback Calculated Property |
| Cp,gas | 421.81 | J/mol×K | 710.45 | Joback Calculated Property |
| Cp,gas | 433.41 | J/mol×K | 746.36 | Joback Calculated Property |
| Cp,gas | 444.26 | J/mol×K | 782.27 | Joback Calculated Property |
| Cp,gas | 454.40 | J/mol×K | 818.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Phenylhexanenitrile.
Sources
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