- InChI
- InChI=1S/C12H6F5NO2/c13-8-7(9(14)11(16)12(17)10(8)15)5-20-18-4-6-2-1-3-19-6/h1-4H,5H2
- InChI Key
- PLTMCEIKUMIAJJ-UHFFFAOYSA-N
- Formula
- C12H6F5NO2
- SMILES
-
Fc1c(F)c(F)c(CON=Cc2ccco2)c(F)
c1F - Molecular Weight1
- 291.17
- Other Names
-
- 2-Furaldehyde O-2,3,4,5,6-PFBHA-oxime
- Furfural, 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 | 0.6763 | Relay (... Calculated Property | |
| ΔfG° | -638.18 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -695.66 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 71.95 | kJ/mol | Relay (... Calculated Property |
| IE | 8.70 | eV | Relay (... Calculated Property |
| log10WS | -5.24 | Relay (... Calculated Property | |
| logPoct/wat | 3.526 | Crippen Calculated Property | |
| McVol | 162.990 | ml/mol | McGowan Calculated Property |
| Pc | 2552.03 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1510.00; 1510.00] |
|
|
| Inp | 1510.00 | NIST | |
| Inp | 1510.00 | NIST | |
| I | [2126.00; 2126.00] |
|
|
| I | 2126.00 | NIST | |
| I | 2126.00 | NIST | |
| Tboil | 538.42 | K | Relay (... Calculated Property |
| Tc | 751.15 | K | Relay (... Calculated Property |
| Tfus | 330.83 | K | Relay (... Calculated Property |
| Vc | 0.625 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Furaldehyde O-pentafluorophenylmethyl-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
- McGowan Method
- NIST Webbook
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