- InChI
- InChI=1S/C12H15N/c1-3-12(4-2,10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3
- InChI Key
- NIWOFSGCBJZYJQ-UHFFFAOYSA-N
- Formula
- C12H15N
- SMILES
- CCC(C#N)(CC)c1ccccc1
- Molecular Weight1
- 173.25
- CAS
- 5336-57-2
- Other Names
-
- 2-Ethyl-2-phenylbutyronitrile
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4509 | Relay (1.0) Calculated Property | |
| ΔfG° | 298.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 122.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.268 | Crippen Calculated Property | |
| McVol | 157.560 | ml/mol | McGowan Calculated Property |
| Pc | 2391.19 | kPa | Joback Calculated Property |
| Tboil | 535.63 | K | Relay (1.0) Calculated Property |
| Tc | 757.20 | K | Relay (1.0) Calculated Property |
| Tfus | 361.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.543 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [385.46; 459.87] | J/mol×K | [599.49; 828.21] | 
|
| Cp,gas | 385.46 | J/mol×K | 599.49 | Joback Calculated Property |
| Cp,gas | 400.34 | J/mol×K | 637.61 | Joback Calculated Property |
| Cp,gas | 414.13 | J/mol×K | 675.73 | Joback Calculated Property |
| Cp,gas | 426.90 | J/mol×K | 713.85 | Joback Calculated Property |
| Cp,gas | 438.73 | J/mol×K | 751.97 | Joback Calculated Property |
| Cp,gas | 449.70 | J/mol×K | 790.09 | Joback Calculated Property |
| Cp,gas | 459.87 | J/mol×K | 828.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyronitrile, 2-ethyl-2-phenyl-.
Sources
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