- InChI
- InChI=1S/C5HF9O2/c6-3(7,8)1(4(9,10)11)16-2(15)5(12,13)14/h1H
- InChI Key
- QFOKVELJLZLFMA-UHFFFAOYSA-N
- Formula
- C5HF9O2
- SMILES
-
O=C(OC(C(F)(F)F)C(F)(F)F)C(F)(
F)F - Molecular Weight1
- 264.05
- CAS
- 42031-15-2
- Other Names
-
- Hexafluoroisopropyl trifluoroacetate
- Trifluoroacetic acid, 2,2,2-1-(trifluoromethyl)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).
- 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).
- 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° | -1989.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2187.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 24.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.585 | Crippen Calculated Property | |
| McVol | 104.680 | ml/mol | McGowan Calculated Property |
| Pc | 2520.12 | kPa | Joback Calculated Property |
| Tboil | 373.39 | K | Joback Calculated Property |
| Tc | 510.13 | K | Joback Calculated Property |
| Tfus | 215.84 | K | Joback Calculated Property |
| Vc | 0.463 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.04; 287.35] | J/mol×K | [373.39; 510.13] | 
|
| Cp,gas | 242.04 | J/mol×K | 373.39 | Joback Calculated Property |
| Cp,gas | 250.79 | J/mol×K | 396.18 | Joback Calculated Property |
| Cp,gas | 259.05 | J/mol×K | 418.97 | Joback Calculated Property |
| Cp,gas | 266.81 | J/mol×K | 441.76 | Joback Calculated Property |
| Cp,gas | 274.10 | J/mol×K | 464.55 | Joback Calculated Property |
| Cp,gas | 280.94 | J/mol×K | 487.34 | Joback Calculated Property |
| Cp,gas | 287.35 | J/mol×K | 510.13 | Joback Calculated Property |
| ΔvapH | 28.50 | kJ/mol | 321.00 | NIST |
Similar Compounds
Sources
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