- 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° | 69.25 | 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 | 755.20 | K | Relay (1.0) Calculated Property |
| Tfus | 265.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.475 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.29; 390.15] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.80800e+00 | |||
| Coefficient B | 7.50220e-01 | |||
| Coefficient C | -4.53360e-04 | |||
| Coefficient D | 1.02100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 164.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 204.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 298.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 322.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 343.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 361.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 377.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 390.15 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylphenylacetonitrile.
Sources
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