- InChI
- InChI=1S/C4H3F5O3/c1-2(10)11-4(8,9)12-3(5,6)7/h1H3
- InChI Key
- LMIXDPWHHJAXJJ-UHFFFAOYSA-N
- Formula
- C4H3F5O3
- SMILES
- CC(=O)OC(F)(F)OC(F)(F)F
- Molecular Weight1
- 194.06
- CAS
- 2195-84-8
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1677.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.54 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.636 | Crippen Calculated Property | |
| McVol | 89.380 | ml/mol | McGowan Calculated Property |
| Pc | 3082.99 | kPa | Joback Calculated Property |
| Tboil | 322.48 | K | Relay (1.0) Calculated Property |
| Tfus | 167.40 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [8.51; 8.51] | kJ/mol | [167.40; 167.40] | 
|
| ΔfusH | 8.51 | kJ/mol | 167.40 | NIST |
| ΔfusH | 8.51 | kJ/mol | 167.40 | NIST |
| ΔfusS | 50.80 | J/mol×K | 167.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.15; 290.59] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.16700e+01 | |||
| Coefficient B | 5.76420e-01 | |||
| Coefficient C | -4.13800e-04 | |||
| Coefficient D | 9.63000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 188.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 211.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 232.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 248.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 262.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 272.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 280.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 286.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 290.59 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-(Trifluoromethoxy)-«alpha»,«alpha»-difluoromethyl acetate.
Sources
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