- InChI
- InChI=1S/C9H17NO/c1-9(11)5-7-3-4-8(6-9)10(7)2/h7-8,11H,3-6H2,1-2H3
- InChI Key
- CELYWWIEPXTVDS-UHFFFAOYSA-N
- Formula
- C8H15NO
- SMILES
- CN1C2CCC1CC(C)(O)C2
- Molecular Weight1
- 141.21
- CAS
- 135-97-7
- Other Names
-
- exo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
- 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, exo-
- 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 | 0.5360 | Relay (1.0) Calculated Property | |
| ΔfG° | -5.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -246.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 ± 0.15 | eV | NIST |
| log10WS | -0.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.994 | Crippen Calculated Property | |
| McVol | 131.800 | ml/mol | McGowan Calculated Property |
| Pc | 3071.87 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1185.00; 1233.70] |
|
|
| Inp | 1233.70 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1233.70 | NIST | |
| Tboil | 497.12 | K | Relay (1.0) Calculated Property |
| Tc | 730.24 | K | Relay (1.0) Calculated Property |
| Tfus | 408.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.491 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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)
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- Crippen Method
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