- InChI
- InChI=1S/C15H14F14O4/c1-3-9(4-2,7(30)32-5-10(16,17)12(20,21)14(24,25)26)8(31)33-6-11(18,19)13(22,23)15(27,28)29/h3-6H2,1-2H3
- InChI Key
- DLZONRAVRLWNTL-UHFFFAOYSA-N
- Formula
- C15H14F14O4
- SMILES
-
CCC(CC)(C(=O)OCC(F)(F)C(F)(F)C
(F)(F)F)C(=O)OCC(F)(F)C(F)(F)C (F)(F)F - Molecular Weight1
- 524.25
- 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° | -3099.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3649.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.79 | kJ/mol | Joback Calculated Property |
| log10WS | -6.17 | Crippen Calculated Property | |
| logPoct/wat | 5.545 | Crippen Calculated Property | |
| McVol | 261.870 | ml/mol | McGowan Calculated Property |
| Pc | 1065.87 | kPa | Joback Calculated Property |
| Inp | 1155.00 | NIST | |
| Tboil | 662.35 | K | Joback Calculated Property |
| Tc | 815.36 | K | Joback Calculated Property |
| Tfus | 428.33 | K | Joback Calculated Property |
| Vc | 1.099 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [805.68; 868.37] | J/mol×K | [662.35; 815.36] | 
|
| Cp,gas | 805.68 | J/mol×K | 662.35 | Joback Calculated Property |
| Cp,gas | 818.14 | J/mol×K | 687.85 | Joback Calculated Property |
| Cp,gas | 829.72 | J/mol×K | 713.35 | Joback Calculated Property |
| Cp,gas | 840.47 | J/mol×K | 738.85 | Joback Calculated Property |
| Cp,gas | 850.45 | J/mol×K | 764.35 | Joback Calculated Property |
| Cp,gas | 859.73 | J/mol×K | 789.86 | Joback Calculated Property |
| Cp,gas | 868.37 | J/mol×K | 815.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester.
Sources
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