- InChI
- InChI=1S/C8H3F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h1H3
- InChI Key
- FBGHCYZBCMDEOX-UHFFFAOYSA-N
- Formula
- C8H3F5O
- SMILES
- CC(=O)c1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 210.10
- CAS
- 652-29-9
- Other Names
-
- 2,3,4,5,6-Pentafluoroacetophenone
- Pentafluoroacetophenone
- Ethanone, 1-(pentafluorophenyl)-
- Acetophenone, 2',3',4',5',6'-pentafluoro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- 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 |
|---|---|---|---|
| EA | 0.88 ± 0.11 | eV | NIST |
| ΔfG° | -1022.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1122.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.65 | kJ/mol | Joback Calculated Property |
| IE | [10.26; 11.25] | eV |
|
| IE | 11.25 | eV | NIST |
| IE | 10.26 | eV | NIST |
| log10WS | -3.79 | Crippen Calculated Property | |
| logPoct/wat | 2.585 | Crippen Calculated Property | |
| McVol | 110.240 | ml/mol | McGowan Calculated Property |
| Pc | 2793.56 | kPa | Joback Calculated Property |
| Tboil | 403.50 ± 0.50 | K | NIST |
| Tc | 660.42 | K | Joback Calculated Property |
| Tfus | 321.82 | K | Joback Calculated Property |
| Vc | 0.471 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.06; 274.04] | J/mol×K | [484.24; 660.42] |
|
| Cp,gas | 234.06 | J/mol×K | 484.24 | Joback Calculated Property |
| Cp,gas | 241.43 | J/mol×K | 513.60 | Joback Calculated Property |
| Cp,gas | 248.52 | J/mol×K | 542.97 | Joback Calculated Property |
| Cp,gas | 255.32 | J/mol×K | 572.33 | Joback Calculated Property |
| Cp,gas | 261.84 | J/mol×K | 601.70 | Joback Calculated Property |
| Cp,gas | 268.08 | J/mol×K | 631.06 | Joback Calculated Property |
| Cp,gas | 274.04 | J/mol×K | 660.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2',3',4',5',6'-Pentafluoroacetophenone.
Sources
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