- InChI
- InChI=1S/CClF3S/c2-6-1(3,4)5
- InChI Key
- RQYLOOVORNJDQX-UHFFFAOYSA-N
- Formula
- CClF3S
- SMILES
- FC(F)(F)SCl
- Molecular Weight1
- 136.52
- CAS
- 421-17-0
- Other Names
-
- Perfluoromethylsulfenyl chloride
- Trifluoromethanesulfenyl chloride
- Trifluoromethylsulfenyl chloride
- trifluoromethanesulphenyl chloride
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | -602.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 25.28 | kJ/mol | Joback Calculated Property |
| IE | 10.70 ± 0.10 | eV | NIST |
| log10WS | -2.43 | Crippen Calculated Property | |
| logPoct/wat | 2.393 | Crippen Calculated Property | |
| McVol | 58.850 | ml/mol | McGowan Calculated Property |
| Pc | 4756.24 | kPa | Joback Calculated Property |
| Tboil | 323.07 | K | Joback Calculated Property |
| Tc | 504.54 | K | Joback Calculated Property |
| Tfus | 169.54 | K | Joback Calculated Property |
| Vc | 0.237 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [90.85; 110.14] | J/mol×K | [323.07; 504.54] | 
|
| Cp,gas | 90.85 | J/mol×K | 323.07 | Joback Calculated Property |
| Cp,gas | 94.74 | J/mol×K | 353.32 | Joback Calculated Property |
| Cp,gas | 98.35 | J/mol×K | 383.56 | Joback Calculated Property |
| Cp,gas | 101.68 | J/mol×K | 413.81 | Joback Calculated Property |
| Cp,gas | 104.74 | J/mol×K | 444.05 | Joback Calculated Property |
| Cp,gas | 107.56 | J/mol×K | 474.30 | Joback Calculated Property |
| Cp,gas | 110.14 | J/mol×K | 504.54 | Joback Calculated Property |
| ΔvapH | 24.50 | kJ/mol | 259.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [200.37; 292.66] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.21012e+01 | |||
| Coefficient B | -1.47340e+03 | |||
| Coefficient C | -7.56500e+01 | |||
| Temperature range, min. | 200.37 | |||
| Temperature range, max. | 292.66 | |||
| Pvap | 1.33 | kPa | 200.37 | Calculated Property |
| Pvap | 3.27 | kPa | 210.62 | Calculated Property |
| Pvap | 7.07 | kPa | 220.88 | Calculated Property |
| Pvap | 13.80 | kPa | 231.13 | Calculated Property |
| Pvap | 24.81 | kPa | 241.39 | Calculated Property |
| Pvap | 41.65 | kPa | 251.64 | Calculated Property |
| Pvap | 66.03 | kPa | 261.90 | Calculated Property |
| Pvap | 99.78 | kPa | 272.15 | Calculated Property |
| Pvap | 144.73 | kPa | 282.41 | Calculated Property |
| Pvap | 202.68 | kPa | 292.66 | Calculated Property |
Similar Compounds
Find more compounds similar to Methanesulfenyl chloride, trifluoro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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