- InChI
- InChI=1S/C14H9F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9H
- InChI Key
- IOXDAYKKVHAKSX-UHFFFAOYSA-N
- Formula
- C14H9F3O
- SMILES
-
O=C(c1ccccc1)c1cccc(C(F)(F)F)c
1 - Molecular Weight1
- 250.22
- CAS
- 728-81-4
- Other Names
-
- m-Trifluoromethylbenzophenone
- Methanone, phenyl[3-(trifluoromethyl)phenyl]-
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.96 ± 0.09 | eV | NIST |
| ΔfG° | -428.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.53 | Crippen Calculated Property | |
| logPoct/wat | 3.936 | Crippen Calculated Property | |
| McVol | 167.480 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Tboil | 626.51 | K | Joback Calculated Property |
| Tc | 853.58 | K | Joback Calculated Property |
| Tfus | 367.02 | K | Joback Calculated Property |
| Vc | 0.652 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.80; 485.37] | J/mol×K | [626.51; 853.58] | 
|
| Cp,gas | 417.80 | J/mol×K | 626.51 | Joback Calculated Property |
| Cp,gas | 431.75 | J/mol×K | 664.36 | Joback Calculated Property |
| Cp,gas | 444.51 | J/mol×K | 702.20 | Joback Calculated Property |
| Cp,gas | 456.17 | J/mol×K | 740.05 | Joback Calculated Property |
| Cp,gas | 466.81 | J/mol×K | 777.89 | Joback Calculated Property |
| Cp,gas | 476.52 | J/mol×K | 815.74 | Joback Calculated Property |
| Cp,gas | 485.37 | J/mol×K | 853.58 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 371.50 ± 0.50 | K | 0.05 | NIST |
Similar Compounds
Find more compounds similar to 3-(Trifluoromethyl)benzophenone.
Sources
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