- InChI
- InChI=1S/C19H26N2O/c22-19(12-11-16-7-2-1-3-8-16)21-14-6-9-17(15-21)18-10-4-5-13-20-18/h1-3,7-8,11-12,17-18,20H,4-6,9-10,13-15H2/b12-11-
- InChI Key
- XIZYLQMCWHMQNP-QXMHVHEDSA-N
- Formula
- C19H26N2O
- SMILES
-
O=C(C=Cc1ccccc1)N1CCCC(C2CCCCN
2)C1 - Molecular Weight1
- 298.42
- 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 | 0.5898 | Relay (1.0) Calculated Property | |
| ΔfG° | 299.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -110.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.081 | Crippen Calculated Property | |
| McVol | 250.320 | ml/mol | McGowan Calculated Property |
| Pc | 1421.50 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2530.00 | NIST | |
| Tboil | 685.02 | K | Relay (1.0) Calculated Property |
| Tc | 951.20 | K | Relay (1.0) Calculated Property |
| Tfus | 406.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.861 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to cis-adenocarpine.
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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