- InChI
- InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-4-2-1-3-5(6)7(9,10)11/h1-4H
- InChI Key
- ZIZGWNOAHUCACM-UHFFFAOYSA-N
- Formula
- C7H4ClF3O2S
- SMILES
- O=S(=O)(Cl)c1ccccc1C(F)(F)F
- Molecular Weight1
- 244.62
- CAS
- 776-04-5
- Other Names
-
- 2-(Chlorosulfonyl)benzenetrifluoride
- 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 | 0.4816 | Relay (1.0) Calculated Property | |
| ΔfG° | -951.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -881.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.633 | Crippen Calculated Property | |
| McVol | 131.370 | ml/mol | McGowan Calculated Property |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Tboil | 493.68 | K | Relay (1.0) Calculated Property |
| Tc | 736.58 | K | Relay (1.0) Calculated Property |
| Tfus | 314.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.463 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.58; 315.47] | J/mol×K | [471.01; 665.42] | 
|
| Cp,gas | 262.58 | J/mol×K | 471.01 | Joback Calculated Property |
| Cp,gas | 273.08 | J/mol×K | 503.41 | Joback Calculated Property |
| Cp,gas | 282.88 | J/mol×K | 535.81 | Joback Calculated Property |
| Cp,gas | 291.99 | J/mol×K | 568.21 | Joback Calculated Property |
| Cp,gas | 300.45 | J/mol×K | 600.62 | Joback Calculated Property |
| Cp,gas | 308.27 | J/mol×K | 633.02 | Joback Calculated Property |
| Cp,gas | 315.47 | J/mol×K | 665.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonyl chloride, 2-(trifluoromethyl)-.
Sources
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