- InChI
- InChI=1S/C12H7F7O3S/c1-23-7-5-3-2-4-6(7)8(20)22-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3
- InChI Key
- IMGNOGMIQTVSJA-UHFFFAOYSA-N
- Formula
- C12H7F7O3S
- SMILES
-
CSc1ccccc1C(=O)OC(=O)C(F)(F)C(
F)(F)C(F)(F)F - Molecular Weight1
- 364.24
- 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° | -1531.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1780.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.36 | kJ/mol | Joback Calculated Property |
| log10WS | -4.78 | Crippen Calculated Property | |
| logPoct/wat | 3.925 | Crippen Calculated Property | |
| McVol | 193.930 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | [1522.00; 1522.00] |
|
|
| Inp | 1522.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Tboil | 689.76 | K | Joback Calculated Property |
| Tc | 890.03 | K | Joback Calculated Property |
| Tfus | 431.82 | K | Joback Calculated Property |
| Vc | 0.776 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.86; 576.98] | J/mol×K | [689.76; 890.03] |
|
| Cp,gas | 527.86 | J/mol×K | 689.76 | Joback Calculated Property |
| Cp,gas | 538.14 | J/mol×K | 723.14 | Joback Calculated Property |
| Cp,gas | 547.49 | J/mol×K | 756.52 | Joback Calculated Property |
| Cp,gas | 555.99 | J/mol×K | 789.89 | Joback Calculated Property |
| Cp,gas | 563.69 | J/mol×K | 823.27 | Joback Calculated Property |
| Cp,gas | 570.67 | J/mol×K | 856.65 | Joback Calculated Property |
| Cp,gas | 576.98 | J/mol×K | 890.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Methylthio)benzoic heptafluorobutyric anhydride.
Sources
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