- InChI
- InChI=1S/C15H24N2O2/c18-14-6-3-5-12-10-8-11(15(19)17(12)14)13-4-1-2-7-16(13)9-10/h10-13,15,19H,1-9H2/t10?,11?,12-,13+,15?/m0/s1
- InChI Key
- MBODEPXPCBBNRM-BCILHVDJSA-N
- Formula
- C15H24N2O2
- SMILES
-
O=C1CCCC2C3CC(C4CCCCN4C3)C(O)N
12 - Molecular Weight1
- 264.36
- 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 | 0.6286 | Relay (1.0) Calculated Property | |
| ΔfG° | 30.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -465.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.190 | Crippen Calculated Property | |
| McVol | 206.170 | ml/mol | McGowan Calculated Property |
| Pc | 1729.48 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2457.00 | NIST | |
| Tboil | 645.29 | K | Relay (1.0) Calculated Property |
| Tc | 965.32 | K | Relay (1.0) Calculated Property |
| Tfus | 491.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.766 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 6«beta»-Hydroxylupanine.
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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