- InChI
- InChI=1S/C7H13N/c1-3-4-5-7(2)6-8/h7H,3-5H2,1-2H3
- InChI Key
- PZYFAYMXLISRGL-UHFFFAOYSA-N
- Formula
- C7H13N
- SMILES
- CCCCC(C)C#N
- Molecular Weight1
- 111.18
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4300 | Relay (1.0) Calculated Property | |
| ΔfG° | 138.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -36.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.336 | Crippen Calculated Property | |
| McVol | 110.870 | ml/mol | McGowan Calculated Property |
| Pc | 2749.78 | kPa | Joback Calculated Property |
| Inp | [913.00; 913.00] |
|
|
| Inp | 913.00 | NIST | |
| Inp | 913.00 | NIST | |
| Tboil | 435.02 | K | Relay (1.0) Calculated Property |
| Tc | 611.45 | K | Relay (1.0) Calculated Property |
| Tfus | 205.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.420 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.04; 357.48] | 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 | 1.18430e+01 | |||
| Coefficient B | 6.09540e-01 | |||
| Coefficient C | -3.29200e-04 | |||
| Coefficient D | 6.53000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 189.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 219.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 247.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 272.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 293.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 313.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 329.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 344.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 357.48 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexanenitrile, 2-methyl.
Sources
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