- InChI
- InChI=1S/C10H4ClF5O2S2/c11-9(12,13)7(17)19-5-2-1-3-6(4-5)20-8(18)10(14,15)16/h1-4H
- InChI Key
- JXGBZGLMRCSCAJ-UHFFFAOYSA-N
- Formula
- C10H4ClF5O2S2
- SMILES
-
O=C(Sc1cccc(SC(=O)C(F)(F)Cl)c1
)C(F)(F)F - Molecular Weight1
- 350.71
- 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° | -1035.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1179.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.97 | Crippen Calculated Property | |
| logPoct/wat | 4.318 | Crippen Calculated Property | |
| McVol | 184.930 | ml/mol | McGowan Calculated Property |
| Pc | 2695.80 | kPa | Joback Calculated Property |
| Inp | [1529.00; 1529.00] |
|
|
| Inp | 1529.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Tboil | 732.48 | K | Joback Calculated Property |
| Tc | 965.96 | K | Joback Calculated Property |
| Tfus | 447.77 | K | Joback Calculated Property |
| Vc | 0.725 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.92; 488.25] | J/mol×K | [732.48; 965.96] |
|
| Cp,gas | 451.92 | J/mol×K | 732.48 | Joback Calculated Property |
| Cp,gas | 460.09 | J/mol×K | 771.39 | Joback Calculated Property |
| Cp,gas | 467.31 | J/mol×K | 810.31 | Joback Calculated Property |
| Cp,gas | 473.66 | J/mol×K | 849.22 | Joback Calculated Property |
| Cp,gas | 479.22 | J/mol×K | 888.13 | Joback Calculated Property |
| Cp,gas | 484.05 | J/mol×K | 927.05 | Joback Calculated Property |
| Cp,gas | 488.25 | J/mol×K | 965.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Benzenedithiol, S-chlorodifluoroacetyl-S'-trifluoroacetyl-.
Sources
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