- InChI
- InChI=1S/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H
- InChI Key
- OHTYZZYAMUVKQS-UHFFFAOYSA-N
- Formula
- C14H9F3O
- SMILES
-
O=C(c1ccccc1)c1ccc(C(F)(F)F)cc
1 - Molecular Weight1
- 250.22
- CAS
- 728-86-9
- Other Names
-
- p-Trifluoromethylbenzophenone
- Methanone, phenyl[4-(trifluoromethyl)phenyl]-
- Benzophenone, 4-(trifluoromethyl)-
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.5234 | Relay (1.0) Calculated Property | |
| EA | 1.07 ± 0.09 | eV | NIST |
| ΔfG° | -428.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -625.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.11 | Relay (1.0) 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 | 573.15 | K | Relay (1.0) Calculated Property |
| Tc | 798.72 | K | Relay (1.0) Calculated Property |
| Tfus | 342.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.608 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.57; 513.21] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.21900e+01 | |||
| Coefficient B | 1.24970e+00 | |||
| Coefficient C | -9.35460e-04 | |||
| Coefficient D | 2.61160e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 214.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 325.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 369.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 405.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 436.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 461.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 481.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 498.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 513.21 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethyl)benzophenone.
Sources
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