- InChI
- InChI=1S/C10H11N/c1-8-3-4-10(5-6-11)9(2)7-8/h3-4,7H,5H2,1-2H3
- InChI Key
- OOWISQLTVOZJJI-UHFFFAOYSA-N
- Formula
- C10H11N
- SMILES
- Cc1ccc(CC#N)c(C)c1
- Molecular Weight1
- 145.21
- 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 | 0.5025 | Relay (1.0) Calculated Property | |
| ΔfG° | 259.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 140.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.370 | Crippen Calculated Property | |
| McVol | 129.380 | ml/mol | McGowan Calculated Property |
| Pc | 2764.26 | kPa | Joback Calculated Property |
| Tboil | 529.59 | K | Relay (1.0) Calculated Property |
| Tc | 763.84 | K | Relay (1.0) Calculated Property |
| Tfus | 293.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.470 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.84; 387.11] | 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 | 5.49100e+00 | |||
| Coefficient B | 6.90740e-01 | |||
| Coefficient C | -3.86320e-04 | |||
| Coefficient D | 7.72000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 166.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 204.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 269.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 296.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 319.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 340.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 358.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 373.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 387.11 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethylphenylacetonitrile.
Sources
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