- InChI
- InChI=1S/C15H14F5NO/c1-2-3-4-5-6-7-8-21-22-9-10-11(16)13(18)15(20)14(19)12(10)17/h4-8H,2-3,9H2,1H3/b5-4+,7-6+,21-8?
- InChI Key
- BFLMIXVZQCNYHB-GQAZYRBESA-N
- Formula
- C15H14F5NO
- SMILES
-
CCCC=CC=CC=NOCc1c(F)c(F)c(F)c(
F)c1F - Molecular Weight1
- 319.27
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -969.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.31 | Crippen Calculated Property | |
| logPoct/wat | 4.797 | Crippen Calculated Property | |
| McVol | 210.250 | ml/mol | McGowan Calculated Property |
| Pc | 1429.38 | kPa | Joback Calculated Property |
| Inp | 1797.00 | NIST | |
| Tboil | 697.95 | K | Joback Calculated Property |
| Tc | 883.43 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E,E)-2,4-Octadienal, PFBO # 2.
Sources
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