- InChI
- InChI=1S/C13H20N2/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12/h5H,2-4,6-10H2,1H3
- InChI Key
- AFILBIDLBQNROT-UHFFFAOYSA-N
- Formula
- C13H20N2
- SMILES
- CN1CCC(C#N)(C2=CCCCC2)CC1
- Molecular Weight1
- 204.31
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.3884 | Relay (... Calculated Property | |
| ΔfG° | 341.49 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 119.29 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 75.15 | kJ/mol | Relay (... Calculated Property |
| IE | 8.30 | eV | Relay (... Calculated Property |
| log10WS | -1.80 | Relay (... Calculated Property | |
| logPoct/wat | 2.722 | Crippen Calculated Property | |
| McVol | 179.370 | ml/mol | McGowan Calculated Property |
| Pc | 2203.91 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 582.94 | K | Relay (... Calculated Property |
| Tc | 799.62 | K | Relay (... Calculated Property |
| Tfus | 372.17 | K | Relay (... Calculated Property |
| Vc | 0.621 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Delta'-cyclohexenyl)-1-methyl-isonipecotonitrile.
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
- McGowan Method
- NIST Webbook
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