- InChI
- InChI=1S/C15H22N2O/c1-2-3-5-16-9-12-7-13(11-16)15-8-14(18)4-6-17(15)10-12/h2,4,6,12-13,15H,1,3,5,7-11H2
- InChI Key
- QEFLZWOIQICVRH-UHFFFAOYSA-N
- Formula
- C15H22N2O
- SMILES
-
C=CCCN1CC2CC(C1)C1CC(=O)C=CN1C
2 - Molecular Weight1
- 246.35
- 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 | 0.4893 | Relay (1.0) Calculated Property | |
| ΔfG° | 235.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -134.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.671 | Crippen Calculated Property | |
| McVol | 202.560 | ml/mol | McGowan Calculated Property |
| Pc | 1804.58 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2210.00; 2215.00] |
|
|
| Inp | 2211.00 | NIST | |
| Inp | 2210.00 | NIST | |
| Inp | 2215.00 | NIST | |
| Inp | 2215.00 | NIST | |
| Inp | 2215.00 | NIST | |
| Inp | 2211.00 | NIST | |
| Tboil | 627.33 | K | Relay (1.0) Calculated Property |
| Tc | 860.73 | K | Relay (1.0) Calculated Property |
| Tfus | 407.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.701 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 11,12-seco-12,13-didehydromultiflorine.
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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