- InChI
- InChI=1S/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3
- InChI Key
- VGGUKFAVHPGNBF-UHFFFAOYSA-N
- Formula
- C4H5F3OS
- SMILES
- CCSC(=O)C(F)(F)F
- Molecular Weight1
- 158.14
- CAS
- 383-64-2
- Other Names
-
- Acetic acid, trifluorothio-, S-ethyl ester
- Ethanethioic acid, 2,2,2-trifluoro-, S-ethyl ester
- Ethyl trifluorothioacetate
- Ethyl trifluorothiolacetate
- NSC 88936
- S-Ethyl trifluoroethanethioate
- S-Ethyl trifluorothioacetate
- S-Ethylthioltrifluoroacetate
- S-Ethylthiotrifluoroacetate
- Trifluoroethanethioic acid S-ethyl ester
- Trifluorothioacetic acid S-ethyl 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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° | -694.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -815.50 ± 7.90 | kJ/mol | NIST |
| ΔfH°liquid | -851.90 ± 4.10 | kJ/mol | NIST |
| ΔfusH° | 13.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.00 ± 4.20 | kJ/mol | NIST |
| log10WS | -1.82 | Crippen Calculated Property | |
| logPoct/wat | 1.828 | Crippen Calculated Property | |
| McVol | 90.450 | ml/mol | McGowan Calculated Property |
| Pc | 3727.11 | kPa | Joback Calculated Property |
| Tboil | 363.70 | K | NIST |
| Tc | 593.68 | K | Joback Calculated Property |
| Tfus | 223.36 | K | Joback Calculated Property |
| Vc | 0.362 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.47; 216.70] | J/mol×K | [408.15; 593.68] | 
|
| Cp,gas | 175.47 | J/mol×K | 408.15 | Joback Calculated Property |
| Cp,gas | 183.43 | J/mol×K | 439.07 | Joback Calculated Property |
| Cp,gas | 190.94 | J/mol×K | 469.99 | Joback Calculated Property |
| Cp,gas | 198.00 | J/mol×K | 500.91 | Joback Calculated Property |
| Cp,gas | 204.64 | J/mol×K | 531.84 | Joback Calculated Property |
| Cp,gas | 210.86 | J/mol×K | 562.76 | Joback Calculated Property |
| Cp,gas | 216.70 | J/mol×K | 593.68 | Joback Calculated Property |
| ΔvapH | 42.00 | kJ/mol | 293.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [261.77; 403.29] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 8.84322e+00 | |||
| Coefficient B | -8.51201e+02 | |||
| Coefficient C | -1.62277e+02 | |||
| Temperature range, min. | 261.77 | |||
| Temperature range, max. | 403.29 | |||
| Pvap | 1.33 | kPa | 261.77 | Calculated Property |
| Pvap | 4.29 | kPa | 277.49 | Calculated Property |
| Pvap | 10.41 | kPa | 293.22 | Calculated Property |
| Pvap | 20.90 | kPa | 308.94 | Calculated Property |
| Pvap | 36.65 | kPa | 324.67 | Calculated Property |
| Pvap | 58.22 | kPa | 340.39 | Calculated Property |
| Pvap | 85.79 | kPa | 356.12 | Calculated Property |
| Pvap | 119.28 | kPa | 371.84 | Calculated Property |
| Pvap | 158.37 | kPa | 387.57 | Calculated Property |
| Pvap | 202.65 | kPa | 403.29 | Calculated Property |
Similar Compounds
![2-[Ethylthio]ethanal.](data:image/png;base64,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)
Find more compounds similar to Ethanethioic acid, trifluoro-, S-ethyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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