- InChI
- InChI=1S/C7H13N/c1-7(2)5-3-4-6-8/h7H,3-5H2,1-2H3
- InChI Key
- CHWIKAJVZUSSML-UHFFFAOYSA-N
- Formula
- C7H13N
- SMILES
- CC(C)CCCC#N
- Molecular Weight1
- 111.18
- CAS
- 19424-34-1
- Other Names
-
- 5-Methylhexanenitrile
- 4-Methylpentyl cyanide
- 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.
- I : 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 | 0.4656 | Relay (1.0) Calculated Property | |
| ΔfG° | 138.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -39.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.51 | 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 | [910.00; 946.00] |
|
|
| Inp | 946.00 | NIST | |
| Inp | 942.10 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 928.00 | NIST | |
| I | [1337.00; 1358.00] |
|
|
| I | 1350.00 | NIST | |
| I | 1337.00 | NIST | |
| I | 1358.00 | NIST | |
| Tboil | 450.15 | K | Relay (1.0) Calculated Property |
| Tc | 628.24 | K | Relay (1.0) Calculated Property |
| Tfus | 200.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.35; 287.54] | J/mol×K | [461.20; 652.47] |
|
| Cp,gas | 229.35 | J/mol×K | 461.20 | Joback Calculated Property |
| Cp,gas | 240.19 | J/mol×K | 493.08 | Joback Calculated Property |
| Cp,gas | 250.55 | J/mol×K | 524.96 | Joback Calculated Property |
| Cp,gas | 260.46 | J/mol×K | 556.84 | Joback Calculated Property |
| Cp,gas | 269.92 | J/mol×K | 588.72 | Joback Calculated Property |
| Cp,gas | 278.94 | J/mol×K | 620.60 | Joback Calculated Property |
| Cp,gas | 287.54 | J/mol×K | 652.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanenitrile, 5-methyl-.
Sources
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