- InChI
- InChI=1S/C28H49F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-36-24(34)26(5-2,6-3)25(35)37-23-27(29,30)28(31,32)33/h4-23H2,1-3H3
- InChI Key
- MNESARZGSXRYSX-UHFFFAOYSA-N
- Formula
- C28H49F5O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(
CC)C(=O)OCC(F)(F)C(F)(F)F - Molecular Weight1
- 544.68
- 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° | -1248.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2117.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.26 | kJ/mol | Joback Calculated Property |
| log10WS | -10.00 | Crippen Calculated Property | |
| logPoct/wat | 9.338 | Crippen Calculated Property | |
| McVol | 429.110 | ml/mol | McGowan Calculated Property |
| Pc | 630.66 | kPa | Joback Calculated Property |
| Inp | 2596.00 | NIST | |
| Tboil | 979.28 | K | Joback Calculated Property |
| Tc | 1221.54 | K | Joback Calculated Property |
| Tfus | 559.85 | K | Joback Calculated Property |
| Vc | 1.708 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1506.90; 1621.17] | J/mol×K | [979.28; 1221.54] | 
|
| Cp,gas | 1506.90 | J/mol×K | 979.28 | Joback Calculated Property |
| Cp,gas | 1529.42 | J/mol×K | 1019.66 | Joback Calculated Property |
| Cp,gas | 1550.32 | J/mol×K | 1060.03 | Joback Calculated Property |
| Cp,gas | 1569.78 | J/mol×K | 1100.41 | Joback Calculated Property |
| Cp,gas | 1587.95 | J/mol×K | 1140.79 | Joback Calculated Property |
| Cp,gas | 1605.03 | J/mol×K | 1181.16 | Joback Calculated Property |
| Cp,gas | 1621.17 | J/mol×K | 1221.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, octadecyl 2,2,3,3,3-pentafluoropropyl ester.
Sources
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