- InChI
- InChI=1S/C20H31F7O4/c1-4-7-8-9-10-11-12-13-30-15(28)17(5-2,6-3)16(29)31-14-18(21,22)19(23,24)20(25,26)27/h4-14H2,1-3H3
- InChI Key
- FLQJOVAAKXGLPP-UHFFFAOYSA-N
- Formula
- C20H31F7O4
- SMILES
-
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)O
CC(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 468.45
- 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° | -1702.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2353.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.52 | kJ/mol | Joback Calculated Property |
| log10WS | -6.97 | Crippen Calculated Property | |
| logPoct/wat | 6.463 | Crippen Calculated Property | |
| McVol | 319.930 | ml/mol | McGowan Calculated Property |
| Pc | 926.68 | kPa | Joback Calculated Property |
| Inp | 1814.00 | NIST | |
| Tboil | 791.55 | K | Joback Calculated Property |
| Tc | 969.47 | K | Joback Calculated Property |
| Tfus | 473.29 | K | Joback Calculated Property |
| Vc | 1.286 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1025.97; 1109.89] | J/mol×K | [791.55; 969.47] | 
|
| Cp,gas | 1025.97 | J/mol×K | 791.55 | Joback Calculated Property |
| Cp,gas | 1042.19 | J/mol×K | 821.20 | Joback Calculated Property |
| Cp,gas | 1057.42 | J/mol×K | 850.86 | Joback Calculated Property |
| Cp,gas | 1071.75 | J/mol×K | 880.51 | Joback Calculated Property |
| Cp,gas | 1085.22 | J/mol×K | 910.16 | Joback Calculated Property |
| Cp,gas | 1097.91 | J/mol×K | 939.82 | Joback Calculated Property |
| Cp,gas | 1109.89 | J/mol×K | 969.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl nonyl ester.
Sources
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