- InChI
- InChI=1S/C13H18F6O4/c1-7(2)5-22-9(20)11(3,4)10(21)23-6-12(15,16)8(14)13(17,18)19/h7-8H,5-6H2,1-4H3
- InChI Key
- MJRORVZCBKDAGS-UHFFFAOYSA-N
- Formula
- C13H18F6O4
- SMILES
-
CC(C)COC(=O)C(C)(C)C(=O)OCC(F)
(F)C(F)C(F)(F)F - Molecular Weight1
- 352.27
- 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° | -1574.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2014.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.45 | Crippen Calculated Property | |
| logPoct/wat | 3.291 | Crippen Calculated Property | |
| McVol | 219.530 | ml/mol | McGowan Calculated Property |
| Pc | 1512.85 | kPa | Joback Calculated Property |
| Inp | 1225.00 | NIST | |
| Tboil | 634.47 | K | Joback Calculated Property |
| Tc | 801.64 | K | Joback Calculated Property |
| Tfus | 361.39 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [625.83; 697.26] | J/mol×K | [634.47; 801.64] | 
|
| Cp,gas | 625.83 | J/mol×K | 634.47 | Joback Calculated Property |
| Cp,gas | 639.63 | J/mol×K | 662.33 | Joback Calculated Property |
| Cp,gas | 652.63 | J/mol×K | 690.19 | Joback Calculated Property |
| Cp,gas | 664.86 | J/mol×K | 718.06 | Joback Calculated Property |
| Cp,gas | 676.35 | J/mol×K | 745.92 | Joback Calculated Property |
| Cp,gas | 687.14 | J/mol×K | 773.78 | Joback Calculated Property |
| Cp,gas | 697.26 | J/mol×K | 801.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl isobutyl ester.
Sources
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