- InChI
- InChI=1S/C10H11F3S3/c1-14-7-4-6(10(11,12)13)5-8(15-2)9(7)16-3/h4-5H,1-3H3
- InChI Key
- FQGDLFLKJDPASE-UHFFFAOYSA-N
- Formula
- C10H11F3S3
- SMILES
- CSc1cc(C(F)(F)F)cc(SC)c1SC
- Molecular Weight1
- 284.38
- CAS
- 65516-85-0
- 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).
- 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° | -365.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.82 | kJ/mol | Joback Calculated Property |
| log10WS | -4.81 | Crippen Calculated Property | |
| logPoct/wat | 4.871 | Crippen Calculated Property | |
| McVol | 182.360 | ml/mol | McGowan Calculated Property |
| Pc | 2611.07 | kPa | Joback Calculated Property |
| Tboil | 670.74 | K | Joback Calculated Property |
| Tc | 916.08 | K | Joback Calculated Property |
| Tfus | 373.83 | K | Joback Calculated Property |
| Vc | 0.693 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [436.07; 497.03] | J/mol×K | [670.74; 916.08] | 
|
| Cp,gas | 436.07 | J/mol×K | 670.74 | Joback Calculated Property |
| Cp,gas | 448.76 | J/mol×K | 711.63 | Joback Calculated Property |
| Cp,gas | 460.40 | J/mol×K | 752.52 | Joback Calculated Property |
| Cp,gas | 471.02 | J/mol×K | 793.41 | Joback Calculated Property |
| Cp,gas | 480.65 | J/mol×K | 834.30 | Joback Calculated Property |
| Cp,gas | 489.31 | J/mol×K | 875.19 | Joback Calculated Property |
| Cp,gas | 497.03 | J/mol×K | 916.08 | Joback Calculated Property |
Similar Compounds
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Sources
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