- InChI
- InChI=1S/C15H24N2O/c1-2-3-5-16-9-12-7-13(11-16)15-8-14(18)4-6-17(15)10-12/h4,6,12-13,15H,2-3,5,7-11H2,1H3/t12-,13+,15-/m0/s1
- InChI Key
- QLDWYEWOYNNAMI-GUTXKFCHSA-N
- Formula
- C15H24N2O
- SMILES
- CCCCN1CC2CC(C1)C1CC(=O)C=CN1C2
- Molecular Weight1
- 248.36
- 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 | 0.5415 | Relay (1.0) Calculated Property | |
| ΔfG° | 170.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -233.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.895 | Crippen Calculated Property | |
| McVol | 206.860 | ml/mol | McGowan Calculated Property |
| Pc | 1725.22 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2225.00 | NIST | |
| Tboil | 613.11 | K | Relay (1.0) Calculated Property |
| Tc | 852.66 | K | Relay (1.0) Calculated Property |
| Tfus | 413.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.742 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 11,12-seco-Multiflorine.
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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