- InChI
- InChI=1S/C7H11N/c1-3-4-5-7(2)6-8/h3,7H,1,4-5H2,2H3
- InChI Key
- WSLQODBTEPJISE-UHFFFAOYSA-N
- Formula
- C7H11N
- SMILES
- C=CCCC(C)C#N
- Molecular Weight1
- 109.17
- Other Names
-
- 2-Methyl 5-hexenenitrile
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 78.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.89 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.112 | Crippen Calculated Property | |
| McVol | 106.570 | ml/mol | McGowan Calculated Property |
| Inp | [848.00; 848.00] |
|
|
| Inp | 848.00 | NIST | |
| Inp | 848.00 | NIST | |
| Tboil | 431.44 | K | Relay (1.0) Calculated Property |
| Tc | 608.00 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.90; 266.75] | J/mol×K | [457.88; 653.24] |
|
| Cp,gas | 212.90 | J/mol×K | 457.88 | Joback Calculated Property |
| Cp,gas | 223.04 | J/mol×K | 490.44 | Joback Calculated Property |
| Cp,gas | 232.69 | J/mol×K | 523.00 | Joback Calculated Property |
| Cp,gas | 241.87 | J/mol×K | 555.56 | Joback Calculated Property |
| Cp,gas | 250.60 | J/mol×K | 588.12 | Joback Calculated Property |
| Cp,gas | 258.89 | J/mol×K | 620.68 | Joback Calculated Property |
| Cp,gas | 266.75 | J/mol×K | 653.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexenenitrile, 2-methyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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