- InChI
- InChI=1S/C23H30N2O3/c26-22-7-4-9-25-17-12-18-14-20(8-10-24(18)19(13-17)15-21(22)25)28-23(27)11-16-5-2-1-3-6-16/h1-3,5-6,17-21H,4,7-15H2
- InChI Key
- DOHYJDQOPUVWSM-UHFFFAOYSA-N
- Formula
- C23H30N2O3
- SMILES
-
O=C(Cc1ccccc1)OC1CCN2C(C1)CC1C
C2CC2C(=O)CCCN12 - Molecular Weight1
- 382.50
- 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 | 0.7194 | Relay (1.0) Calculated Property | |
| ΔfG° | 62.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -475.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 127.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.574 | Crippen Calculated Property | |
| McVol | 296.700 | ml/mol | McGowan Calculated Property |
| Pc | 788.96 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3095.00 | NIST | |
| Tboil | 721.07 | K | Relay (1.0) Calculated Property |
| Tc | 1044.54 | K | Relay (1.0) Calculated Property |
| Tfus | 460.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.087 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 13-Phenylacetyloxy-lupanine.
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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