- InChI
- InChI=1S/C15H22N2O2/c1-2-3-14-13-6-11(9-17(14)10-18)8-16-5-4-12(19)7-15(13)16/h2,10-11,13-15H,1,3-9H2
- InChI Key
- UUCCIWFXLFBXOP-UHFFFAOYSA-N
- Formula
- C15H22N2O2
- SMILES
-
C=CCC1C2CC(CN1C=O)CN1CCC(=O)CC
21 - Molecular Weight1
- 262.35
- 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 | 0.5135 | Relay (... Calculated Property | |
| ΔfG° | 144.21 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -309.50 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 103.43 | kJ/mol | Relay (... Calculated Property |
| IE | 8.21 | eV | Relay (... Calculated Property |
| log10WS | -1.10 | Relay (... Calculated Property | |
| logPoct/wat | 1.073 | Crippen Calculated Property | |
| McVol | 208.430 | ml/mol | McGowan Calculated Property |
| Pc | 1941.85 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2363.00; 2367.00] |
|
|
| Inp | 2363.00 | NIST | |
| Inp | 2363.00 | NIST | |
| Inp | 2367.00 | NIST | |
| Inp | 2363.00 | NIST | |
| Tboil | 648.53 | K | Relay (... Calculated Property |
| Tc | 905.09 | K | Relay (... Calculated Property |
| Tfus | 410.45 | K | Relay (... Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
![1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-4-(2-propenyl)-, [1S-(1«alpha»,4«alpha»,5«alpha»,11a«alpha»)]-.](data:image/png;base64,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)
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Sources
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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