- InChI
- InChI=1S/C33H51F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-41-31(39)33(5-2,6-3)32(40)42-30-28(37)26(35)25(34)27(36)29(30)38/h4-24H2,1-3H3
- InChI Key
- XXJWKBXWRZDMKE-UHFFFAOYSA-N
- Formula
- C33H51F5O4
- SMILES
-
CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC
)(CC)C(=O)Oc1c(F)c(F)c(F)c(F)c 1F - Molecular Weight1
- 606.75
- 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° | -1147.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2024.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 86.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.57 | kJ/mol | Joback Calculated Property |
| log10WS | -12.53 | Crippen Calculated Property | |
| logPoct/wat | 10.679 | Crippen Calculated Property | |
| McVol | 475.800 | ml/mol | McGowan Calculated Property |
| Pc | 555.20 | kPa | Joback Calculated Property |
| Inp | [3292.00; 3292.00] |
|
|
| Inp | 3292.00 | NIST | |
| Inp | 3292.00 | NIST | |
| Tboil | 1151.72 | K | Joback Calculated Property |
| Tc | 1494.03 | K | Joback Calculated Property |
| Tfus | 700.38 | K | Joback Calculated Property |
| Vc | 1.903 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1716.65; 1799.50] | J/mol×K | [1151.72; 1494.03] |
|
| Cp,gas | 1716.65 | J/mol×K | 1151.72 | Joback Calculated Property |
| Cp,gas | 1738.27 | J/mol×K | 1208.77 | Joback Calculated Property |
| Cp,gas | 1756.38 | J/mol×K | 1265.82 | Joback Calculated Property |
| Cp,gas | 1771.28 | J/mol×K | 1322.87 | Joback Calculated Property |
| Cp,gas | 1783.24 | J/mol×K | 1379.93 | Joback Calculated Property |
| Cp,gas | 1792.56 | J/mol×K | 1436.98 | Joback Calculated Property |
| Cp,gas | 1799.50 | J/mol×K | 1494.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, eicosyl pentafluorophenyl ester.
Sources
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