- InChI
- InChI=1S/C10H11N/c1-2-9-3-5-10(6-4-9)7-8-11/h3-6H,2,7H2,1H3
- InChI Key
- NCPKDFDQDZMXCO-UHFFFAOYSA-N
- Formula
- C10H11N
- SMILES
- CCc1ccc(CC#N)cc1
- Molecular Weight1
- 145.20
- CAS
- 51632-28-1
- 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 | 0.5064 | Relay (1.0) Calculated Property | |
| ΔfG° | 269.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 141.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.315 | Crippen Calculated Property | |
| McVol | 129.380 | ml/mol | McGowan Calculated Property |
| Pc | 2808.38 | kPa | Joback Calculated Property |
| Tboil | 530.63 | K | Relay (1.0) Calculated Property |
| Tc | 751.32 | K | Relay (1.0) Calculated Property |
| Tfus | 270.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.473 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.73; 350.43] | J/mol×K | [561.94; 786.30] | 
|
| Cp,gas | 287.73 | J/mol×K | 561.94 | Joback Calculated Property |
| Cp,gas | 299.96 | J/mol×K | 599.33 | Joback Calculated Property |
| Cp,gas | 311.43 | J/mol×K | 636.73 | Joback Calculated Property |
| Cp,gas | 322.18 | J/mol×K | 674.12 | Joback Calculated Property |
| Cp,gas | 332.25 | J/mol×K | 711.51 | Joback Calculated Property |
| Cp,gas | 341.65 | J/mol×K | 748.91 | Joback Calculated Property |
| Cp,gas | 350.43 | J/mol×K | 786.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylphenylacetonitrile.
Sources
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