- InChI
- InChI=1S/C18H28N2O3/c1-2-17(22)23-15-6-7-16(21)20-11-12-9-13(18(15)20)10-19-8-4-3-5-14(12)19/h12-15,18H,2-11H2,1H3/t12?,13?,14?,15-,18?/m1/s1
- InChI Key
- ORQVQUZMVCLDKD-GNFNDJEDSA-N
- Formula
- C18H28N2O3
- SMILES
-
CCC(=O)OC1CCC(=O)N2CC3CC(CN4CC
CCC34)C12 - Molecular Weight1
- 320.43
- 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 | 0.6467 | Relay (1.0) Calculated Property | |
| ΔfG° | -81.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -629.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.803 | Crippen Calculated Property | |
| McVol | 250.010 | ml/mol | McGowan Calculated Property |
| Pc | 1081.70 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2590.00; 2590.00] |
|
|
| Inp | 2590.00 | NIST | |
| Inp | 2590.00 | NIST | |
| Tboil | 668.97 | K | Relay (1.0) Calculated Property |
| Tc | 946.64 | K | Relay (1.0) Calculated Property |
| Tfus | 430.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.925 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3«beta»-Propanyloxylupanine.
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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