- InChI
- InChI=1S/C15H22F6O4/c1-9(2)6-5-7-24-11(22)13(3,4)12(23)25-8-14(17,18)10(16)15(19,20)21/h9-10H,5-8H2,1-4H3
- InChI Key
- FBHBTURQMRQIRJ-UHFFFAOYSA-N
- Formula
- C15H22F6O4
- SMILES
-
CC(C)CCCOC(=O)C(C)(C)C(=O)OCC(
F)(F)C(F)C(F)(F)F - Molecular Weight1
- 380.32
- 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° | -1557.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2056.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.73 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 4.071 | Crippen Calculated Property | |
| McVol | 247.710 | ml/mol | McGowan Calculated Property |
| Pc | 1309.90 | kPa | Joback Calculated Property |
| Inp | 1411.00 | NIST | |
| Tboil | 680.23 | K | Joback Calculated Property |
| Tc | 848.09 | K | Joback Calculated Property |
| Tfus | 383.93 | K | Joback Calculated Property |
| Vc | 0.987 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [732.65; 808.31] | J/mol×K | [680.23; 848.09] | 
|
| Cp,gas | 732.65 | J/mol×K | 680.23 | Joback Calculated Property |
| Cp,gas | 747.25 | J/mol×K | 708.21 | Joback Calculated Property |
| Cp,gas | 761.01 | J/mol×K | 736.18 | Joback Calculated Property |
| Cp,gas | 773.95 | J/mol×K | 764.16 | Joback Calculated Property |
| Cp,gas | 786.13 | J/mol×K | 792.14 | Joback Calculated Property |
| Cp,gas | 797.57 | J/mol×K | 820.12 | Joback Calculated Property |
| Cp,gas | 808.31 | J/mol×K | 848.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl isohexyl ester.
Sources
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