- InChI
- InChI=1S/C27H49F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33-24(31)26(6-2,7-3)25(32)34-23(4)27(28,29)30/h23H,5-22H2,1-4H3
- InChI Key
- KJOHBCXCKNVAOR-UHFFFAOYSA-N
- Formula
- C27H49F3O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(CC)(C
C)C(=O)OC(C)C(F)(F)F - Molecular Weight1
- 494.67
- 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° | -872.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1701.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.58 | kJ/mol | Joback Calculated Property |
| log10WS | -9.38 | Crippen Calculated Property | |
| logPoct/wat | 8.701 | Crippen Calculated Property | |
| McVol | 411.480 | ml/mol | McGowan Calculated Property |
| Pc | 689.98 | kPa | Joback Calculated Property |
| Inp | 2604.00 | NIST | |
| Tboil | 960.65 | K | Joback Calculated Property |
| Tc | 1187.05 | K | Joback Calculated Property |
| Tfus | 529.98 | K | Joback Calculated Property |
| Vc | 1.621 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1429.73; 1536.57] | J/mol×K | [960.65; 1187.05] | 
|
| Cp,gas | 1429.73 | J/mol×K | 960.65 | Joback Calculated Property |
| Cp,gas | 1451.13 | J/mol×K | 998.38 | Joback Calculated Property |
| Cp,gas | 1470.94 | J/mol×K | 1036.12 | Joback Calculated Property |
| Cp,gas | 1489.28 | J/mol×K | 1073.85 | Joback Calculated Property |
| Cp,gas | 1506.26 | J/mol×K | 1111.59 | Joback Calculated Property |
| Cp,gas | 1521.99 | J/mol×K | 1149.32 | Joback Calculated Property |
| Cp,gas | 1536.57 | J/mol×K | 1187.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptadecyl 1,1,1-trifluoroprop-2-yl ester.
Sources
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