- InChI
- InChI=1S/C20H30N2O3/c1-13(2)8-20(24)25-16-6-7-21-11-14-9-15(18(21)10-16)12-22-17(14)4-3-5-19(22)23/h8,14-18H,3-7,9-12H2,1-2H3/t14?,15?,16-,17?,18?/m0/s1
- InChI Key
- AMZQRXDCFULFFJ-HNICDYJYSA-N
- Formula
- C20H30N2O3
- SMILES
-
CC(C)=CC(=O)OC1CCN2CC3CC(CN4C(
=O)CCCC34)C2C1 - Molecular Weight1
- 346.46
- 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 | 0.6785 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -606.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 119.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.360 | Crippen Calculated Property | |
| McVol | 273.890 | ml/mol | McGowan Calculated Property |
| Pc | 803.70 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2749.00; 2762.00] |
|
|
| Inp | 2762.00 | NIST | |
| Inp | 2749.00 | NIST | |
| Inp | 2753.00 | NIST | |
| Inp | 2753.00 | NIST | |
| Inp | 2762.00 | NIST | |
| Tboil | 689.13 | K | Relay (1.0) Calculated Property |
| Tc | 974.41 | K | Relay (1.0) Calculated Property |
| Tfus | 434.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.002 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 13«alpha»-Tigloyloxylupanine.
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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