- InChI
- InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h13-14,16,19H,2-12,15,17-18,20-21H2,1H3/b14-13+,19-16+
- InChI Key
- QNBNFYKISNNUMZ-MHTUQYMHSA-N
- Formula
- C22H39NO
- SMILES
-
CCCCCCCCCCCCC=CCC=CC(=O)N1CCCC
1 - Molecular Weight1
- 333.55
- CAS
- 56666-48-9
- 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).
- 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 | 0.8528 | Relay (1.0) Calculated Property | |
| ΔfG° | 212.51 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -439.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.422 | Crippen Calculated Property | |
| McVol | 312.930 | ml/mol | McGowan Calculated Property |
| Pc | 917.41 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 632.48 | K | Relay (1.0) Calculated Property |
| Tc | 858.98 | K | Relay (1.0) Calculated Property |
| Tfus | 308.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.143 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrrolidine, 1-(1-oxo-2,5-octadecadienyl)-.
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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