- InChI
- InChI=1S/C8H4Cl2F4O2S/c9-7(11,8(10,12)13)5-2-1-3-6(4-5)17(14,15)16/h1-4H
- InChI Key
- LFRBTEJGNYIGRF-UHFFFAOYSA-N
- Formula
- C8H4Cl2F4O2S
- SMILES
-
O=S(=O)(F)c1cccc(C(F)(Cl)C(F)(
F)Cl)c1 - Molecular Weight1
- 311.08
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4848 | Relay (1.0) Calculated Property | |
| ΔfG° | -1146.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1140.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.538 | Crippen Calculated Property | |
| McVol | 159.470 | ml/mol | McGowan Calculated Property |
| Pc | 3337.38 | kPa | Joback Calculated Property |
| Inp | 1365.00 | NIST | |
| Tboil | 511.88 | K | Relay (1.0) Calculated Property |
| Tc | 755.94 | K | Relay (1.0) Calculated Property |
| Tfus | 338.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.560 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.52; 393.93] | J/mol×K | [527.36; 726.67] | 
|
| Cp,gas | 341.52 | J/mol×K | 527.36 | Joback Calculated Property |
| Cp,gas | 352.39 | J/mol×K | 560.58 | Joback Calculated Property |
| Cp,gas | 362.35 | J/mol×K | 593.80 | Joback Calculated Property |
| Cp,gas | 371.43 | J/mol×K | 627.01 | Joback Calculated Property |
| Cp,gas | 379.69 | J/mol×K | 660.23 | Joback Calculated Property |
| Cp,gas | 387.18 | J/mol×K | 693.45 | Joback Calculated Property |
| Cp,gas | 393.93 | J/mol×K | 726.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1,2-dichloro-1,2,2-trifluoroethyl)-3-(fluuorosulfonyl).
Sources
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