- InChI
- InChI=1S/C15H22N2O2/c18-12-1-3-16-8-10-5-11(14(16)6-12)9-17-4-2-13(19)7-15(10)17/h1,3,10-11,13-15,19H,2,4-9H2/t10?,11?,13-,14?,15?/m1/s1
- InChI Key
- WADQXAAHRPKPQW-WAMZBAIXSA-N
- Formula
- C15H22N2O2
- SMILES
-
O=C1C=CN2CC3CC(CN4CCC(O)CC34)C
2C1 - Molecular Weight1
- 262.35
- 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 | 0.6279 | Relay (1.0) Calculated Property | |
| ΔfG° | 82.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -343.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 132.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.619 | Crippen Calculated Property | |
| McVol | 201.870 | ml/mol | McGowan Calculated Property |
| Pc | 1819.50 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2566.00; 2566.00] |
|
|
| Inp | 2566.00 | NIST | |
| Inp | 2566.00 | NIST | |
| Tboil | 650.29 | K | Relay (1.0) Calculated Property |
| Tc | 942.37 | K | Relay (1.0) Calculated Property |
| Tfus | 500.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.737 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 13«alpha»-Hydroxymultiflorine.
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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