- InChI
- InChI=1S/C20H28N2O4/c1-3-12(2)20(25)26-13-7-8-16-15-11-22-17(5-4-6-18(22)23)14(19(15)24)10-21(16)9-13/h3,13-17H,4-11H2,1-2H3/b12-3-
- InChI Key
- JMBDSDRKAFJRFY-BASWHVEKSA-N
- Formula
- C20H28N2O4
- SMILES
-
CC=C(C)C(=O)OC1CCC2C3CN4C(=O)C
CCC4C(CN2C1)C3=O - Molecular Weight1
- 360.45
- 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 | 0.6853 | Relay (... Calculated Property | |
| ΔfG° | -98.47 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -668.76 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 127.01 | kJ/mol | Relay (... Calculated Property |
| IE | 8.11 | eV | Relay (... Calculated Property |
| log10WS | -1.78 | Relay (... Calculated Property | |
| logPoct/wat | 1.539 | Crippen Calculated Property | |
| McVol | 275.460 | ml/mol | McGowan Calculated Property |
| Pc | 987.38 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2885.00; 2885.00] |
|
|
| Inp | 2885.00 | NIST | |
| Inp | 2885.00 | NIST | |
| Tboil | 683.41 | K | Relay (... Calculated Property |
| Tc | 995.91 | K | Relay (... Calculated Property |
| Tfus | 462.00 | K | Relay (... Calculated Property |
| Vc | 0.991 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 13-Angeloyloxy-17-oxolupanine.
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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