- InChI
- InChI=1S/C25H45F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-31-22(29)24(6-2,7-3)23(30)32-21(4)25(26,27)28/h21H,5-20H2,1-4H3
- InChI Key
- CSPGGGMCKKHFKJ-UHFFFAOYSA-N
- Formula
- C25H45F3O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)
C(=O)OC(C)C(F)(F)F - Molecular Weight1
- 466.62
- 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° | -889.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1660.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.12 | kJ/mol | Joback Calculated Property |
| log10WS | -8.55 | Crippen Calculated Property | |
| logPoct/wat | 7.921 | Crippen Calculated Property | |
| McVol | 383.300 | ml/mol | McGowan Calculated Property |
| Pc | 765.21 | kPa | Joback Calculated Property |
| Inp | 2399.00 | NIST | |
| Tboil | 914.89 | K | Joback Calculated Property |
| Tc | 1123.38 | K | Joback Calculated Property |
| Tfus | 507.44 | K | Joback Calculated Property |
| Vc | 1.510 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1302.34; 1403.24] | J/mol×K | [914.89; 1123.38] | 
|
| Cp,gas | 1302.34 | J/mol×K | 914.89 | Joback Calculated Property |
| Cp,gas | 1322.30 | J/mol×K | 949.64 | Joback Calculated Property |
| Cp,gas | 1340.89 | J/mol×K | 984.39 | Joback Calculated Property |
| Cp,gas | 1358.21 | J/mol×K | 1019.14 | Joback Calculated Property |
| Cp,gas | 1374.32 | J/mol×K | 1053.89 | Joback Calculated Property |
| Cp,gas | 1389.30 | J/mol×K | 1088.64 | Joback Calculated Property |
| Cp,gas | 1403.24 | J/mol×K | 1123.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, pentadecyl 1,1,1-trifluoroprop-2-yl ester.
Sources
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