- InChI
- InChI=1S/C17H6F12O/c18-14(19,20)9-1-7(2-10(5-9)15(21,22)23)13(30)8-3-11(16(24,25)26)6-12(4-8)17(27,28)29/h1-6H
- InChI Key
- GATWMPGNBWPCIY-UHFFFAOYSA-N
- Formula
- C17H6F12O
- SMILES
-
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)
c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c 1 - Molecular Weight1
- 454.21
- CAS
- 175136-66-0
- 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 | 0.7461 | Relay (1.0) Calculated Property | |
| ΔfG° | -2176.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2510.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.993 | Crippen Calculated Property | |
| McVol | 225.680 | ml/mol | McGowan Calculated Property |
| Pc | 1425.07 | kPa | Joback Calculated Property |
| Tboil | 565.78 | K | Relay (1.0) Calculated Property |
| Tc | 837.74 | K | Relay (1.0) Calculated Property |
| Tfus | 469.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.894 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.73; 701.13] | J/mol×K | [693.83; 873.34] | 
|
| Cp,gas | 647.73 | J/mol×K | 693.83 | Joback Calculated Property |
| Cp,gas | 658.61 | J/mol×K | 723.75 | Joback Calculated Property |
| Cp,gas | 668.59 | J/mol×K | 753.67 | Joback Calculated Property |
| Cp,gas | 677.75 | J/mol×K | 783.58 | Joback Calculated Property |
| Cp,gas | 686.18 | J/mol×K | 813.50 | Joback Calculated Property |
| Cp,gas | 693.95 | J/mol×K | 843.42 | Joback Calculated Property |
| Cp,gas | 701.13 | J/mol×K | 873.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone.
Sources
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