- InChI
- InChI=1S/C14H8F4O/c15-12-7-6-10(14(16,17)18)8-11(12)13(19)9-4-2-1-3-5-9/h1-8H
- InChI Key
- SRXSIASKXYCRCC-UHFFFAOYSA-N
- Formula
- C14H8F4O
- SMILES
-
O=C(c1ccccc1)c1cc(C(F)(F)F)ccc
1F - Molecular Weight1
- 268.21
- CAS
- 199292-40-5
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 |
|---|---|---|---|
| ω | 0.5337 | Relay (1.0) Calculated Property | |
| ΔfG° | -632.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -813.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.075 | Crippen Calculated Property | |
| McVol | 169.250 | ml/mol | McGowan Calculated Property |
| Pc | 2431.44 | kPa | Joback Calculated Property |
| Tboil | 562.15 | K | Relay (1.0) Calculated Property |
| Tc | 798.21 | K | Relay (1.0) Calculated Property |
| Tfus | 350.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.04; 488.77] | J/mol×K | [630.76; 848.27] | 
|
| Cp,gas | 425.04 | J/mol×K | 630.76 | Joback Calculated Property |
| Cp,gas | 438.06 | J/mol×K | 667.01 | Joback Calculated Property |
| Cp,gas | 450.03 | J/mol×K | 703.26 | Joback Calculated Property |
| Cp,gas | 461.02 | J/mol×K | 739.52 | Joback Calculated Property |
| Cp,gas | 471.09 | J/mol×K | 775.77 | Joback Calculated Property |
| Cp,gas | 480.32 | J/mol×K | 812.02 | Joback Calculated Property |
| Cp,gas | 488.77 | J/mol×K | 848.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-5-(trifluoromethyl)benzophenone.
Sources
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