- InChI
- InChI=1S/C3H3F3OS/c1-8-2(7)3(4,5)6/h1H3
- InChI Key
- JOURTNKOBNXXIV-UHFFFAOYSA-N
- Formula
- C3H3F3OS
- SMILES
- CSC(=O)C(F)(F)F
- Molecular Weight1
- 144.12
- CAS
- 41879-94-1
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| ω | 0.2402 | Relay (1.0) Calculated Property | |
| PAff | 765.20 | kJ/mol | NIST |
| BasG | 734.30 | kJ/mol | NIST |
| ΔfG° | -703.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -819.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.438 | Crippen Calculated Property | |
| McVol | 76.360 | ml/mol | McGowan Calculated Property |
| Pc | 4205.63 | kPa | Joback Calculated Property |
| Tboil | 334.41 | K | Relay (1.0) Calculated Property |
| Tc | 458.18 | K | Relay (1.0) Calculated Property |
| Tfus | 206.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.255 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.98; 174.79] | J/mol×K | [385.27; 572.00] | 
|
| Cp,gas | 140.98 | J/mol×K | 385.27 | Joback Calculated Property |
| Cp,gas | 147.56 | J/mol×K | 416.39 | Joback Calculated Property |
| Cp,gas | 153.75 | J/mol×K | 447.51 | Joback Calculated Property |
| Cp,gas | 159.55 | J/mol×K | 478.64 | Joback Calculated Property |
| Cp,gas | 164.98 | J/mol×K | 509.76 | Joback Calculated Property |
| Cp,gas | 170.06 | J/mol×K | 540.88 | Joback Calculated Property |
| Cp,gas | 174.79 | J/mol×K | 572.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to CF3COSCH3.
Sources
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