- InChI
- InChI=1S/C8H4F4O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H
- InChI Key
- XDMZVNQKVMTCSP-UHFFFAOYSA-N
- Formula
- C8H4F4O
- SMILES
- O=Cc1cccc(C(F)(F)F)c1F
- Molecular Weight1
- 192.11
- CAS
- 112641-20-0
- 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 | 0.4149 | Relay (1.0) Calculated Property | |
| ΔfG° | -766.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -881.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.657 | Crippen Calculated Property | |
| McVol | 108.470 | ml/mol | McGowan Calculated Property |
| Pc | 3184.73 | kPa | Joback Calculated Property |
| Tboil | 451.49 | K | Relay (1.0) Calculated Property |
| Tc | 654.64 | K | Relay (1.0) Calculated Property |
| Tfus | 259.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.393 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.01; 279.26] | J/mol×K | [461.59; 649.64] | 
|
| Cp,gas | 231.01 | J/mol×K | 461.59 | Joback Calculated Property |
| Cp,gas | 240.50 | J/mol×K | 492.93 | Joback Calculated Property |
| Cp,gas | 249.38 | J/mol×K | 524.27 | Joback Calculated Property |
| Cp,gas | 257.66 | J/mol×K | 555.62 | Joback Calculated Property |
| Cp,gas | 265.38 | J/mol×K | 586.96 | Joback Calculated Property |
| Cp,gas | 272.57 | J/mol×K | 618.30 | Joback Calculated Property |
| Cp,gas | 279.26 | J/mol×K | 649.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-3-(trifluoromethyl)benzaldehyde.
Sources
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