- InChI
- InChI=1S/C19H24F5NO/c1-2-3-4-5-6-7-8-9-10-11-12-25-26-13-14-15(20)17(22)19(24)18(23)16(14)21/h10-12H,2-9,13H2,1H3/b11-10+,25-12?
- InChI Key
- PFBICGCCBITBKY-CVWUSQQBSA-N
- Formula
- C19H24F5NO
- SMILES
-
CCCCCCCCCC=CC=NOCc1c(F)c(F)c(F
)c(F)c1F - Molecular Weight1
- 377.39
- 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.
- I : 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 | 0.9098 | Relay (... Calculated Property | |
| ΔfG° | -506.60 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -830.90 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 91.10 | kJ/mol | Relay (... Calculated Property |
| IE | 8.86 | eV | Relay (... Calculated Property |
| log10WS | -8.07 | Relay (... Calculated Property | |
| logPoct/wat | 6.581 | Crippen Calculated Property | |
| McVol | 270.910 | ml/mol | McGowan Calculated Property |
| Pc | 1053.46 | kPa | Joback Calculated Property |
| Inp | [2117.00; 2117.00] |
|
|
| Inp | 2117.00 | NIST | |
| Inp | 2117.00 | NIST | |
| I | [2513.00; 2513.00] |
|
|
| I | 2513.00 | NIST | |
| I | 2513.00 | NIST | |
| Tboil | 581.90 | K | Relay (... Calculated Property |
| Tc | 766.97 | K | Relay (... Calculated Property |
| Tfus | 339.84 | K | Relay (... Calculated Property |
| Vc | 0.995 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Dodecenal, PFBO # 2.
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
- Joback Method
- McGowan Method
- NIST Webbook
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