- InChI
- InChI=1S/C24H28N2O4/c27-22-8-4-7-21-18-14-25-13-17(10-11-20(25)19(24(18)29)15-26(21)22)30-23(28)12-9-16-5-2-1-3-6-16/h1-3,5-6,9,12,17-21H,4,7-8,10-11,13-15H2/b12-9-
- InChI Key
- QWTJLOAMIUIARH-XFXZXTDPSA-N
- Formula
- C24H28N2O4
- SMILES
-
O=C(C=Cc1ccccc1)OC1CCC2C3CN4C(
=O)CCCC4C(CN2C1)C3=O - Molecular Weight1
- 408.49
- 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 | 0.7550 | Relay (1.0) Calculated Property | |
| ΔfG° | 26.04 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -524.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 144.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.286 | Crippen Calculated Property | |
| McVol | 308.060 | ml/mol | McGowan Calculated Property |
| Pc | 810.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3418.00; 3418.00] |
|
|
| Inp | 3418.00 | NIST | |
| Inp | 3418.00 | NIST | |
| Tboil | 745.70 | K | Relay (1.0) Calculated Property |
| Tc | 1077.30 | K | Relay (1.0) Calculated Property |
| Tfus | 481.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.095 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 13-cis-Cinnamoyloxy-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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