- InChI
- InChI=1S/C12H20F4O2/c1-8(6-11(2,3)4)5-9(17)18-7-12(15,16)10(13)14/h8,10H,5-7H2,1-4H3
- InChI Key
- NSRCNLBPDSLHSI-UHFFFAOYSA-N
- Formula
- C12H20F4O2
- SMILES
-
CC(CC(=O)OCC(F)(F)C(F)F)CC(C)(
C)C - Molecular Weight1
- 272.28
- 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° | -962.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1348.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.83 | kJ/mol | Joback Calculated Property |
| log10WS | -3.85 | Crippen Calculated Property | |
| logPoct/wat | 3.892 | Crippen Calculated Property | |
| McVol | 194.460 | ml/mol | McGowan Calculated Property |
| Pc | 1665.97 | kPa | Joback Calculated Property |
| Inp | 1174.00 | NIST | |
| Tboil | 539.99 | K | Joback Calculated Property |
| Tc | 704.37 | K | Joback Calculated Property |
| Tfus | 274.36 | K | Joback Calculated Property |
| Vc | 0.769 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.96; 584.64] | J/mol×K | [539.99; 704.37] | 
|
| Cp,gas | 502.96 | J/mol×K | 539.99 | Joback Calculated Property |
| Cp,gas | 518.42 | J/mol×K | 567.39 | Joback Calculated Property |
| Cp,gas | 533.11 | J/mol×K | 594.78 | Joback Calculated Property |
| Cp,gas | 547.04 | J/mol×K | 622.18 | Joback Calculated Property |
| Cp,gas | 560.26 | J/mol×K | 649.58 | Joback Calculated Property |
| Cp,gas | 572.78 | J/mol×K | 676.97 | Joback Calculated Property |
| Cp,gas | 584.64 | J/mol×K | 704.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, 2,2,3,3-tetrafluoropropyl ester.
Sources
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