- InChI
- InChI=1S/C5H7F3O2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3
- InChI Key
- ASAXRKSDVDALDT-UHFFFAOYSA-N
- Formula
- C5H7F3O2
- SMILES
- CC(C)OC(=O)C(F)(F)F
- Molecular Weight1
- 156.10
- CAS
- 400-38-4
- Other Names
-
- Acetic acid, trifluoro-, 1-methylethyl ester
- Trifluoroacetic acid, isopropyl 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).
- 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 |
|---|---|---|---|
| ΔfG° | -826.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -993.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.75 | kJ/mol | Joback Calculated Property |
| log10WS | -1.55 | Crippen Calculated Property | |
| logPoct/wat | 1.500 | Crippen Calculated Property | |
| McVol | 94.060 | ml/mol | McGowan Calculated Property |
| Pc | 3228.31 | kPa | Joback Calculated Property |
| Inp | [528.80; 528.80] |
|
|
| Inp | 528.80 | NIST | |
| Inp | 528.80 | NIST | |
| Tboil | [346.60; 359.00] | K |
|
| Tboil | 346.60 | K | NIST |
| Tboil | 359.00 | K | NIST |
| Tc | 549.62 | K | Joback Calculated Property |
| Tfus | 207.46 | K | Joback Calculated Property |
| Vc | 0.377 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.00; 236.76] | J/mol×K | [384.23; 549.62] |
|
| Cp,gas | 190.00 | J/mol×K | 384.23 | Joback Calculated Property |
| Cp,gas | 198.72 | J/mol×K | 411.79 | Joback Calculated Property |
| Cp,gas | 207.06 | J/mol×K | 439.36 | Joback Calculated Property |
| Cp,gas | 215.02 | J/mol×K | 466.92 | Joback Calculated Property |
| Cp,gas | 222.62 | J/mol×K | 494.49 | Joback Calculated Property |
| Cp,gas | 229.86 | J/mol×K | 522.05 | Joback Calculated Property |
| Cp,gas | 236.76 | J/mol×K | 549.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl trifluoroacetate.
Sources
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