- InChI
- InChI=1S/C8H17N/c1-9-7-5-3-2-4-6-8-9/h2-8H2,1H3
- InChI Key
- CAROGVXIVVOPKA-UHFFFAOYSA-N
- Formula
- C8H17N
- SMILES
- CN1CCCCCCC1
- Molecular Weight1
- 127.23
- CAS
- 19719-81-4
- 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).
- 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 | 0.2566 | Relay (1.0) Calculated Property | |
| ΔfG° | 158.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -112.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 43.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.02; 8.02] | eV |
|
| IE | 8.02 | eV | NIST |
| IE | 8.02 | eV | NIST |
| log10WS | -0.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.882 | Crippen Calculated Property | |
| McVol | 122.700 | ml/mol | McGowan Calculated Property |
| Pc | 3289.31 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [970.00; 970.00] |
|
|
| Inp | 970.00 | NIST | |
| Inp | 970.00 | NIST | |
| Tboil | 428.80 | K | Relay (1.0) Calculated Property |
| Tc | 641.49 | K | Relay (1.0) Calculated Property |
| Tfus | 245.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-octahydroazocine.
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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