- InChI
- InChI=1S/C24H30N2O3/c27-23-8-4-7-21-18-13-19(16-26(21)23)22-14-20(11-12-25(22)15-18)29-24(28)10-9-17-5-2-1-3-6-17/h1-3,5-6,9-10,18-22H,4,7-8,11-16H2/b10-9-/t18?,19?,20-,21?,22?/m1/s1
- InChI Key
- PUFYZCKVLOYPHL-YWZARJDXSA-N
- Formula
- C24H30N2O3
- SMILES
-
O=C(C=Cc1ccccc1)OC1CCN2CC3CC(C
N4C(=O)CCCC34)C2C1 - Molecular Weight1
- 394.51
- 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 | 0.7311 | Relay (1.0) Calculated Property | |
| ΔfG° | 124.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -444.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 135.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.107 | Crippen Calculated Property | |
| McVol | 306.490 | ml/mol | McGowan Calculated Property |
| Pc | 716.55 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3260.00; 3260.00] |
|
|
| Inp | 3260.00 | NIST | |
| Inp | 3260.00 | NIST | |
| Tboil | 746.95 | K | Relay (1.0) Calculated Property |
| Tc | 1058.16 | K | Relay (1.0) Calculated Property |
| Tfus | 456.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.104 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 13-cis-Cinnamoyloxylupanine.
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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