- InChI
- InChI=1S/C7H4ClF3O3S/c8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11/h1-4H
- InChI Key
- UHCDBMIOLNKDHG-UHFFFAOYSA-N
- Formula
- C7H4ClF3O3S
- SMILES
- O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1
- Molecular Weight1
- 260.62
- CAS
- 94108-56-2
- Other Names
-
- p-(trifluoromethoxy)benzenesulphonyl chloride
- 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 | 0.5500 | Relay (1.0) Calculated Property | |
| ΔfG° | -1056.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1055.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.513 | Crippen Calculated Property | |
| McVol | 137.240 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| Tboil | 498.67 | K | Relay (1.0) Calculated Property |
| Tc | 704.03 | K | Relay (1.0) Calculated Property |
| Tfus | 321.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.489 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.68; 336.55] | J/mol×K | [493.43; 686.61] | 
|
| Cp,gas | 284.68 | J/mol×K | 493.43 | Joback Calculated Property |
| Cp,gas | 294.86 | J/mol×K | 525.63 | Joback Calculated Property |
| Cp,gas | 304.41 | J/mol×K | 557.82 | Joback Calculated Property |
| Cp,gas | 313.35 | J/mol×K | 590.02 | Joback Calculated Property |
| Cp,gas | 321.68 | J/mol×K | 622.21 | Joback Calculated Property |
| Cp,gas | 329.41 | J/mol×K | 654.41 | Joback Calculated Property |
| Cp,gas | 336.55 | J/mol×K | 686.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonyl chloride, 4-(trifluoromethoxy)-.
Sources
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