- InChI
- InChI=1S/C23H41F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-29-20(27)22(6-2,7-3)21(28)30-19(4)23(24,25)26/h19H,5-18H2,1-4H3
- InChI Key
- BRYLAYHIIFOQIK-UHFFFAOYSA-N
- Formula
- C23H41F3O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)OC(C)C(F)(F)F - Molecular Weight1
- 438.56
- 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° | -906.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1618.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.67 | kJ/mol | Joback Calculated Property |
| log10WS | -7.71 | Crippen Calculated Property | |
| logPoct/wat | 7.141 | Crippen Calculated Property | |
| McVol | 355.120 | ml/mol | McGowan Calculated Property |
| Pc | 853.47 | kPa | Joback Calculated Property |
| Inp | 2194.00 | NIST | |
| Tboil | 869.13 | K | Joback Calculated Property |
| Tc | 1064.22 | K | Joback Calculated Property |
| Tfus | 484.90 | K | Joback Calculated Property |
| Vc | 1.397 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1177.08; 1273.04] | J/mol×K | [869.13; 1064.22] | 
|
| Cp,gas | 1177.08 | J/mol×K | 869.13 | Joback Calculated Property |
| Cp,gas | 1195.86 | J/mol×K | 901.65 | Joback Calculated Property |
| Cp,gas | 1213.45 | J/mol×K | 934.16 | Joback Calculated Property |
| Cp,gas | 1229.90 | J/mol×K | 966.68 | Joback Calculated Property |
| Cp,gas | 1245.27 | J/mol×K | 999.19 | Joback Calculated Property |
| Cp,gas | 1259.63 | J/mol×K | 1031.71 | Joback Calculated Property |
| Cp,gas | 1273.04 | J/mol×K | 1064.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, tridecyl 1,1,1-trifluoroprop-2-yl ester.
Sources
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