- InChI
- InChI=1S/C20H30N2O3/c1-3-13(2)20(24)25-17-5-7-22-11-14-8-15(19(22)10-17)12-21-6-4-16(23)9-18(14)21/h3,14-15,17-19H,4-12H2,1-2H3/b13-3-
- InChI Key
- HMRQDDHKXMHUPR-DXNYSGJVSA-N
- Formula
- C20H30N2O3
- SMILES
-
CC=C(C)C(=O)OC1CCN2CC3CC(CN4CC
C(=O)CC34)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 | 0.6511 | Relay (1.0) Calculated Property | |
| ΔfG° | 7.90 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -558.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.012 | Crippen Calculated Property | |
| McVol | 273.890 | ml/mol | McGowan Calculated Property |
| Pc | 915.13 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2935.00; 2955.00] |
|
|
| Inp | 2935.00 | NIST | |
| Inp | 2955.00 | NIST | |
| Inp | 2955.00 | NIST | |
| Inp | 2935.00 | NIST | |
| Tboil | 669.71 | K | Relay (1.0) Calculated Property |
| Tc | 953.00 | K | Relay (1.0) Calculated Property |
| Tfus | 448.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.992 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 13-Tigloyloxymultiflorine.
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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