- InChI
- InChI=1S/C34H53F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-42-32(40)34(5-2,6-3)33(41)43-25-26-27(35)29(37)31(39)30(38)28(26)36/h4-25H2,1-3H3
- InChI Key
- AMDKEMPLTLFFGX-UHFFFAOYSA-N
- Formula
- C34H53F5O4
- SMILES
-
CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC
)(CC)C(=O)OCc1c(F)c(F)c(F)c(F) c1F - Molecular Weight1
- 620.77
- 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° | -1139.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2044.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 89.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.80 | kJ/mol | Joback Calculated Property |
| log10WS | -12.79 | Crippen Calculated Property | |
| logPoct/wat | 10.817 | Crippen Calculated Property | |
| McVol | 489.890 | ml/mol | McGowan Calculated Property |
| Pc | 530.91 | kPa | Joback Calculated Property |
| Inp | 3354.00 | NIST | |
| Tboil | 1174.60 | K | Joback Calculated Property |
| Tc | 1540.61 | K | Joback Calculated Property |
| Tfus | 711.65 | K | Joback Calculated Property |
| Vc | 1.958 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1780.66; 1863.46] | J/mol×K | [1174.60; 1540.61] | 
|
| Cp,gas | 1780.66 | J/mol×K | 1174.60 | Joback Calculated Property |
| Cp,gas | 1803.07 | J/mol×K | 1235.60 | Joback Calculated Property |
| Cp,gas | 1821.56 | J/mol×K | 1296.60 | Joback Calculated Property |
| Cp,gas | 1836.47 | J/mol×K | 1357.61 | Joback Calculated Property |
| Cp,gas | 1848.18 | J/mol×K | 1418.61 | Joback Calculated Property |
| Cp,gas | 1857.06 | J/mol×K | 1479.61 | Joback Calculated Property |
| Cp,gas | 1863.46 | J/mol×K | 1540.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, eicosyl pentafluorobenzyl ester.
Sources
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