- InChI
- InChI=1S/C12H21NO2/c1-10(14)15-9-11-5-4-8-13-7-3-2-6-12(11)13/h11-12H,2-9H2,1H3/t11-,12?/m0/s1
- InChI Key
- WRCNAOJPCHQUCI-PXYINDEMSA-N
- Formula
- C12H21NO2
- SMILES
- CC(=O)OCC1CCCN2CCCCC12
- Molecular Weight1
- 211.30
- 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 | 0.4812 | Relay (1.0) Calculated Property | |
| ΔfG° | -107.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -474.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.814 | Crippen Calculated Property | |
| McVol | 175.640 | ml/mol | McGowan Calculated Property |
| Pc | 2234.87 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1513.00; 1520.00] |
|
|
| Inp | 1513.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Tboil | 550.59 | K | Relay (1.0) Calculated Property |
| Tc | 779.81 | K | Relay (1.0) Calculated Property |
| Tfus | 318.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Acetylepilupinine.
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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