- InChI
- InChI=1S/C18H28N2O3/c1-2-18(22)23-15-5-7-19-13(10-15)8-12-9-14(19)11-16-17(21)4-3-6-20(12)16/h12-16H,2-11H2,1H3
- InChI Key
- OEQFCMUGHQTLOJ-UHFFFAOYSA-N
- Formula
- C18H28N2O3
- SMILES
-
CCC(=O)OC1CCN2C(C1)CC1CC2CC2C(
=O)CCCN12 - Molecular Weight1
- 320.43
- Other Names
-
- 13-propyloxylupanine
- 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 | 0.6406 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -606.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.741 | Crippen Calculated Property | |
| McVol | 250.010 | ml/mol | McGowan Calculated Property |
| Pc | 1100.34 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2530.00; 2555.00] |
|
|
| Inp | 2555.00 | NIST | |
| Inp | 2530.00 | NIST | |
| Inp | 2555.00 | NIST | |
| Inp | 2530.00 | NIST | |
| Tboil | 654.97 | K | Relay (1.0) Calculated Property |
| Tc | 941.87 | K | Relay (1.0) Calculated Property |
| Tfus | 461.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.925 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 13-Propionyloxy-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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