- InChI
- InChI=1S/C15H8F6O/c16-14(17,18)11-6-4-9(5-7-11)13(22)10-2-1-3-12(8-10)15(19,20)21/h1-8H
- InChI Key
- HWBXNAPXNCBCQO-UHFFFAOYSA-N
- Formula
- C15H8F6O
- SMILES
-
O=C(c1ccc(C(F)(F)F)cc1)c1cccc(
C(F)(F)F)c1 - Molecular Weight1
- 318.21
- CAS
- 21084-22-0
- Other Names
-
- Benzophenone, 3,4'-bis(trifluoromethyl)-
- 3,4'-Bis(trifluoromethyl)benzophenone
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1011.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1209.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.11 | kJ/mol | Joback Calculated Property |
| log10WS | -5.64 | Crippen Calculated Property | |
| logPoct/wat | 4.955 | Crippen Calculated Property | |
| McVol | 186.880 | ml/mol | McGowan Calculated Property |
| Pc | 2075.54 | kPa | Joback Calculated Property |
| Tboil | 648.95 | K | Joback Calculated Property |
| Tc | 855.70 | K | Joback Calculated Property |
| Tfus | 395.00 | K | Joback Calculated Property |
| Vc | 0.751 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.00; 556.22] | J/mol×K | [648.95; 855.70] | 
|
| Cp,gas | 494.00 | J/mol×K | 648.95 | Joback Calculated Property |
| Cp,gas | 506.78 | J/mol×K | 683.41 | Joback Calculated Property |
| Cp,gas | 518.49 | J/mol×K | 717.87 | Joback Calculated Property |
| Cp,gas | 529.21 | J/mol×K | 752.32 | Joback Calculated Property |
| Cp,gas | 539.01 | J/mol×K | 786.78 | Joback Calculated Property |
| Cp,gas | 547.99 | J/mol×K | 821.24 | Joback Calculated Property |
| Cp,gas | 556.22 | J/mol×K | 855.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4'-di(Trifluoromethyl)benzophenone.
Sources
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