- InChI
- InChI=1S/C11H4F6O4S/c12-10(13,14)8(19)21-7(18)5-2-1-3-6(4-5)22-9(20)11(15,16)17/h1-4H
- InChI Key
- JARMGXXUBAKYDL-UHFFFAOYSA-N
- Formula
- C11H4F6O4S
- SMILES
-
O=C(OC(=O)C(F)(F)F)c1cccc(SC(=
O)C(F)(F)F)c1 - Molecular Weight1
- 346.20
- 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° | -1477.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1667.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.99 | kJ/mol | Joback Calculated Property |
| log10WS | -4.17 | Crippen Calculated Property | |
| logPoct/wat | 3.113 | Crippen Calculated Property | |
| McVol | 179.640 | ml/mol | McGowan Calculated Property |
| Pc | 2497.50 | kPa | Joback Calculated Property |
| Inp | 1317.00 | NIST | |
| Tboil | 724.71 | K | Joback Calculated Property |
| Tc | 932.17 | K | Joback Calculated Property |
| Tfus | 467.47 | K | Joback Calculated Property |
| Vc | 0.720 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [476.14; 515.13] | J/mol×K | [724.71; 932.17] | 
|
| Cp,gas | 476.14 | J/mol×K | 724.71 | Joback Calculated Property |
| Cp,gas | 484.54 | J/mol×K | 759.29 | Joback Calculated Property |
| Cp,gas | 492.12 | J/mol×K | 793.86 | Joback Calculated Property |
| Cp,gas | 498.92 | J/mol×K | 828.44 | Joback Calculated Property |
| Cp,gas | 505.00 | J/mol×K | 863.02 | Joback Calculated Property |
| Cp,gas | 510.38 | J/mol×K | 897.59 | Joback Calculated Property |
| Cp,gas | 515.13 | J/mol×K | 932.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Trifluoroacetylthio)benzoic trifluoroacetic anhydride.
Sources
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