- InChI
- InChI=1S/C16H18F5NO/c1-2-3-4-5-6-7-8-9-22-23-10-11-12(17)14(19)16(21)15(20)13(11)18/h7-9H,2-6,10H2,1H3/b8-7+,22-9?
- InChI Key
- PXJSNFYKIQVDCV-CRRUHHOKSA-N
- Formula
- C16H18F5NO
- SMILES
-
CCCCCCC=CC=NOCc1c(F)c(F)c(F)c(
F)c1F - Molecular Weight1
- 335.31
- Other Names
-
- (E)-2-Nonenal, PFBO # 2
- 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 | 0.7918 | Relay (... Calculated Property | |
| ΔfG° | -539.58 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -770.52 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 79.15 | kJ/mol | Relay (... Calculated Property |
| IE | 8.86 | eV | Relay (... Calculated Property |
| log10WS | -7.09 | Relay (... Calculated Property | |
| logPoct/wat | 5.411 | Crippen Calculated Property | |
| McVol | 228.640 | ml/mol | McGowan Calculated Property |
| Pc | 1281.91 | kPa | Joback Calculated Property |
| Inp | [1821.00; 1821.00] |
|
|
| Inp | 1821.00 | NIST | |
| Inp | 1821.00 | NIST | |
| I | [2207.00; 2207.00] |
|
|
| I | 2207.00 | NIST | |
| I | 2207.00 | NIST | |
| Tboil | 547.28 | K | Relay (... Calculated Property |
| Tc | 735.73 | K | Relay (... Calculated Property |
| Tfus | 332.02 | K | Relay (... Calculated Property |
| Vc | 0.831 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Nonal, pentafluorobenzyl oxime.
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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