- InChI
- InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2H,1,3-6H2
- InChI Key
- ZLWQKLRMIQIHKQ-UHFFFAOYSA-N
- Formula
- C7H11N
- SMILES
- C=CCCCCC#N
- Molecular Weight1
- 109.17
- CAS
- 5048-25-9
- Other Names
-
- (Replicate of what you have as 6-Cyano-1-hexene
- 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 | 0.4517 | Relay (... Calculated Property | |
| ΔfG° | 229.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 87.58 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.95 | kJ/mol | Relay (... Calculated Property |
| IE | 10.48 | eV | Relay (... Calculated Property |
| log10WS | -2.23 | Relay (... Calculated Property | |
| logPoct/wat | 2.256 | Crippen Calculated Property | |
| McVol | 106.570 | ml/mol | McGowan Calculated Property |
| Pc | 2850.52 | kPa | Joback Calculated Property |
| Tboil | 456.45 | K | Relay (... Calculated Property |
| Tc | 644.51 | K | Relay (... Calculated Property |
| Tfus | 199.49 | K | Relay (... Calculated Property |
| Vc | 0.392 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.73; 265.15] | J/mol×K | [458.32; 649.32] | 
|
| Cp,gas | 212.73 | J/mol×K | 458.32 | Joback Calculated Property |
| Cp,gas | 222.56 | J/mol×K | 490.15 | Joback Calculated Property |
| Cp,gas | 231.93 | J/mol×K | 521.99 | Joback Calculated Property |
| Cp,gas | 240.86 | J/mol×K | 553.82 | Joback Calculated Property |
| Cp,gas | 249.36 | J/mol×K | 585.65 | Joback Calculated Property |
| Cp,gas | 257.46 | J/mol×K | 617.48 | Joback Calculated Property |
| Cp,gas | 265.15 | J/mol×K | 649.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Heptene-1-nitrile.
Sources
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