- InChI
- InChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
- InChI Key
- IZPUPXNVRNBDSW-UHFFFAOYSA-N
- Formula
- C10H11N
- SMILES
- CCC(C#N)c1ccccc1
- Molecular Weight1
- 145.20
- CAS
- 769-68-6
- Other Names
-
- DL-2-phenylbutyronitrile
- Benzeneacetonitrile, «alpha»-ethyl-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
- I : 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 |
|---|---|---|---|
| ω | 0.4228 | Relay (1.0) Calculated Property | |
| ΔfG° | 276.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 146.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.30 ± 0.60 | kJ/mol | NIST |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.704 | Crippen Calculated Property | |
| McVol | 129.380 | ml/mol | McGowan Calculated Property |
| Pc | 2878.12 | kPa | Joback Calculated Property |
| Inp | 1304.00 | NIST | |
| I | [2129.00; 2129.00] |
|
|
| I | 2129.00 | NIST | |
| I | 2129.00 | NIST | |
| Tboil | 504.52 | K | Relay (1.0) Calculated Property |
| Tc | 737.28 | K | Relay (1.0) Calculated Property |
| Tfus | 296.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.456 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.76; 353.97] | J/mol×K | [556.52; 784.84] |
|
| Cp,gas | 288.76 | J/mol×K | 556.52 | Joback Calculated Property |
| Cp,gas | 301.64 | J/mol×K | 594.57 | Joback Calculated Property |
| Cp,gas | 313.67 | J/mol×K | 632.63 | Joback Calculated Property |
| Cp,gas | 324.87 | J/mol×K | 670.68 | Joback Calculated Property |
| Cp,gas | 335.30 | J/mol×K | 708.73 | Joback Calculated Property |
| Cp,gas | 344.98 | J/mol×K | 746.78 | Joback Calculated Property |
| Cp,gas | 353.97 | J/mol×K | 784.84 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 387.70 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Butanenitrile, 2-phenyl.
Sources
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