- InChI
- InChI=1S/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2H2,1H3
- InChI Key
- UZDXATQPJOOHQJ-UHFFFAOYSA-N
- Formula
- C9H9N
- SMILES
- CCc1ccccc1C#N
- Molecular Weight1
- 131.18
- 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 | 0.4178 | Relay (1.0) Calculated Property | |
| ΔfG° | 260.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 150.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.121 | Crippen Calculated Property | |
| McVol | 115.290 | ml/mol | McGowan Calculated Property |
| Pc | 3117.52 | kPa | Joback Calculated Property |
| Tboil | 502.96 | K | Relay (1.0) Calculated Property |
| Tc | 733.21 | K | Relay (1.0) Calculated Property |
| Tfus | 248.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.419 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [143.08; 338.56] | 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 | -7.89900e+00 | |||
| Coefficient B | 6.55220e-01 | |||
| Coefficient C | -3.98960e-04 | |||
| Coefficient D | 9.02000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 143.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 208.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 236.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 260.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 280.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 298.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 314.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 327.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 338.56 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to O-ETHYLBENZONITRILE.
Sources
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