- InChI
- InChI=1S/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2
- InChI Key
- ICMVGKQFVMTRLB-UHFFFAOYSA-N
- Formula
- C10H11N
- SMILES
- N#CCCCc1ccccc1
- Molecular Weight1
- 145.20
- CAS
- 2046-18-6
- Other Names
-
- Butyronitrile, 4-phenyl-
- 4-Phenylbutyronitrile
- «gamma»-Phenylpropyl cyanide
- (3-Cyanopropyl)benzene
- 1-Cyano-3-phenylpropane
- 4-Phenylbutanenitrile
- NSC 1853
- Gamma-phenylbutyronitrile
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 278.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 151.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.61 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.533 | Crippen Calculated Property | |
| McVol | 129.380 | ml/mol | McGowan Calculated Property |
| Pc | 2853.57 | kPa | Joback Calculated Property |
| Inp | 1336.70 | NIST | |
| Tboil | 556.96 | K | Joback Calculated Property |
| Tc | 780.24 | K | Joback Calculated Property |
| Tfus | 293.87 | K | Joback Calculated Property |
| Vc | 0.513 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.38; 352.17] | J/mol×K | [556.96; 780.24] | 
|
| Cp,gas | 288.38 | J/mol×K | 556.96 | Joback Calculated Property |
| Cp,gas | 300.91 | J/mol×K | 594.17 | Joback Calculated Property |
| Cp,gas | 312.64 | J/mol×K | 631.39 | Joback Calculated Property |
| Cp,gas | 323.58 | J/mol×K | 668.60 | Joback Calculated Property |
| Cp,gas | 333.80 | J/mol×K | 705.81 | Joback Calculated Property |
| Cp,gas | 343.31 | J/mol×K | 743.03 | Joback Calculated Property |
| Cp,gas | 352.17 | J/mol×K | 780.24 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 371.20 | K | 0.30 | NIST |
Similar Compounds
Find more compounds similar to Benzenebutanenitrile.
Sources
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