- InChI
- InChI=1S/C20H32N2O3/c1-13(2)8-20(24)25-17-5-7-21-15(11-17)9-14-10-16(21)12-18-19(23)4-3-6-22(14)18/h13-18H,3-12H2,1-2H3
- InChI Key
- APCPIFZNNFGYDW-UHFFFAOYSA-N
- Formula
- C20H32N2O3
- SMILES
-
CC(C)CC(=O)OC1CCN2C(C1)CC1CC2C
C2C(=O)CCCN12 - Molecular Weight1
- 348.48
- 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 | 0.6907 | Relay (... Calculated Property | |
| ΔfG° | -74.03 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -678.63 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 110.78 | kJ/mol | Relay (... Calculated Property |
| IE | 7.57 | eV | Relay (... Calculated Property |
| log10WS | -2.38 | Relay (... Calculated Property | |
| logPoct/wat | 2.377 | Crippen Calculated Property | |
| McVol | 278.190 | ml/mol | McGowan Calculated Property |
| Pc | 751.60 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2655.00 | NIST | |
| Tboil | 657.87 | K | Relay (... Calculated Property |
| Tc | 955.13 | K | Relay (... Calculated Property |
| Tfus | 446.70 | K | Relay (... Calculated Property |
| Vc | 1.028 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 13-Methylbutyryloxy-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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