- InChI
- InChI=1S/C3F6S3/c4-2(5,6)11-1(10)12-3(7,8)9
- InChI Key
- BHLMOIFXVOEGPU-UHFFFAOYSA-N
- Formula
- C3F6S3
- SMILES
- FC(F)(F)SC(=S)SC(F)(F)F
- Molecular Weight1
- 246.22
- CAS
- 461-08-5
- Other Names
-
- Carbonic acid, trithio-, bis(trifluoromethyl) ester
- Trithiocarbonic acid, bis(trifluoromethyl) ester
- 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).
- 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).
- 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° | -1005.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1069.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.14 | kJ/mol | Joback Calculated Property |
| IE | 9.25 | eV | NIST |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 3.777 | Crippen Calculated Property | |
| McVol | 108.500 | ml/mol | McGowan Calculated Property |
| Pc | 3848.31 | kPa | Joback Calculated Property |
| Tboil | 464.80 | K | Joback Calculated Property |
| Tc | 672.93 | K | Joback Calculated Property |
| Tfus | 235.02 | K | Joback Calculated Property |
| Vc | 0.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.67; 249.94] | J/mol×K | [464.80; 672.93] | 
|
| Cp,gas | 219.67 | J/mol×K | 464.80 | Joback Calculated Property |
| Cp,gas | 226.51 | J/mol×K | 499.49 | Joback Calculated Property |
| Cp,gas | 232.54 | J/mol×K | 534.18 | Joback Calculated Property |
| Cp,gas | 237.84 | J/mol×K | 568.87 | Joback Calculated Property |
| Cp,gas | 242.46 | J/mol×K | 603.55 | Joback Calculated Property |
| Cp,gas | 246.47 | J/mol×K | 638.24 | Joback Calculated Property |
| Cp,gas | 249.94 | J/mol×K | 672.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonotrithioic acid, bis(trifluoromethyl) ester.
Sources
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