- InChI
- InChI=1S/C8H6F4/c9-7-3-1-2-6(4-7)5-8(10,11)12/h1-4H,5H2
- InChI Key
- XEMUQSFXYQZZSO-UHFFFAOYSA-N
- Formula
- C8H6F4
- SMILES
- Fc1cccc(CC(F)(F)F)c1
- Molecular Weight1
- 178.13
- 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).
- Inp : Non-polar retention indices.
- 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° | -657.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -776.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.27 | Crippen Calculated Property | |
| logPoct/wat | 2.931 | Crippen Calculated Property | |
| McVol | 106.900 | ml/mol | McGowan Calculated Property |
| Pc | 2982.79 | kPa | Joback Calculated Property |
| Inp | [810.00; 810.00] |
|
|
| Inp | 810.00 | NIST | |
| Inp | 810.00 | NIST | |
| Tboil | 407.95 | K | Joback Calculated Property |
| Tc | 588.22 | K | Joback Calculated Property |
| Tfus | 223.64 | K | Joback Calculated Property |
| Vc | 0.436 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.74; 269.86] | J/mol×K | [407.95; 588.22] |
|
| Cp,gas | 211.74 | J/mol×K | 407.95 | Joback Calculated Property |
| Cp,gas | 223.04 | J/mol×K | 437.99 | Joback Calculated Property |
| Cp,gas | 233.65 | J/mol×K | 468.04 | Joback Calculated Property |
| Cp,gas | 243.61 | J/mol×K | 498.08 | Joback Calculated Property |
| Cp,gas | 252.95 | J/mol×K | 528.13 | Joback Calculated Property |
| Cp,gas | 261.69 | J/mol×K | 558.17 | Joback Calculated Property |
| Cp,gas | 269.86 | J/mol×K | 588.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-3-(2,2,2-trifluoroethyl).
Sources
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