- 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/h14-16,19H,2-13,17-18,20-21H2,1H3/b15-14+,19-16+
- InChI Key
- AVSSMWIINDFJMN-VNXILKCPSA-N
- Formula
- C22H39NO
- SMILES
-
CCCCCCCCCCCCCC=CC=CC(=O)N1CCCC
1 - Molecular Weight1
- 333.55
- CAS
- 102934-33-8
- 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 | 0.8813 | Relay (1.0) Calculated Property | |
| ΔfG° | 195.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -434.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.422 | Crippen Calculated Property | |
| McVol | 312.930 | ml/mol | McGowan Calculated Property |
| Pc | 967.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2996.80; 2996.80] |
|
|
| Inp | 2996.80 | NIST | |
| Inp | 2996.80 | NIST | |
| Tboil | 629.67 | K | Relay (1.0) Calculated Property |
| Tc | 856.20 | K | Relay (1.0) Calculated Property |
| Tfus | 343.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.153 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (2E,4E)-1-(Pyrrolidin-1-yl)octadeca-2,4-dien-1-one.
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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