- InChI
- InChI=1S/C4H2Cl3F3O2/c5-3(6,7)1-12-2(11)4(8,9)10/h1H2
- InChI Key
- BGZNVJXNPFAPCN-UHFFFAOYSA-N
- Formula
- C4H2Cl3F3O2
- SMILES
- O=C(OCC(Cl)(Cl)Cl)C(F)(F)F
- Molecular Weight1
- 245.41
- CAS
- 153654-71-8
- Other Names
-
- 2,2,2-Trichloroethanol, trifluoroacetate
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3625 | Relay (... Calculated Property | |
| ΔfG° | -865.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1039.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.52 | kJ/mol | Relay (... Calculated Property |
| IE | 11.66 | eV | Relay (... Calculated Property |
| log10WS | -2.51 | Relay (... Calculated Property | |
| logPoct/wat | 2.462 | Crippen Calculated Property | |
| McVol | 116.690 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Inp | 823.00 | NIST | |
| Tboil | 412.71 | K | Relay (... Calculated Property |
| Tc | 569.74 | K | Relay (... Calculated Property |
| Tfus | 321.47 | K | Relay (... Calculated Property |
| Vc | 0.416 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.48; 257.16] | J/mol×K | [470.85; 665.50] | 
|
| Cp,gas | 224.48 | J/mol×K | 470.85 | Joback Calculated Property |
| Cp,gas | 231.27 | J/mol×K | 503.29 | Joback Calculated Property |
| Cp,gas | 237.48 | J/mol×K | 535.73 | Joback Calculated Property |
| Cp,gas | 243.14 | J/mol×K | 568.18 | Joback Calculated Property |
| Cp,gas | 248.28 | J/mol×K | 600.62 | Joback Calculated Property |
| Cp,gas | 252.94 | J/mol×K | 633.06 | Joback Calculated Property |
| Cp,gas | 257.16 | J/mol×K | 665.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl 2,2,2-trifluoroacetate.
Sources
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