- InChI
- InChI=1S/C26H37F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-34-24(32)26(5-2,6-3)25(33)35-23-21(30)19(28)18(27)20(29)22(23)31/h4-17H2,1-3H3
- InChI Key
- MCEXMVUVRRTTLF-UHFFFAOYSA-N
- Formula
- C26H37F5O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)Oc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 508.56
- 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° | -1206.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1879.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.99 | kJ/mol | Joback Calculated Property |
| log10WS | -9.60 | Crippen Calculated Property | |
| logPoct/wat | 7.948 | Crippen Calculated Property | |
| McVol | 377.170 | ml/mol | McGowan Calculated Property |
| Pc | 783.75 | kPa | Joback Calculated Property |
| Inp | [2586.00; 2586.00] |
|
|
| Inp | 2586.00 | NIST | |
| Inp | 2586.00 | NIST | |
| Tboil | 991.56 | K | Joback Calculated Property |
| Tc | 1224.02 | K | Joback Calculated Property |
| Tfus | 621.49 | K | Joback Calculated Property |
| Vc | 1.510 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1274.97; 1353.59] | J/mol×K | [991.56; 1224.02] |
|
| Cp,gas | 1274.97 | J/mol×K | 991.56 | Joback Calculated Property |
| Cp,gas | 1292.01 | J/mol×K | 1030.30 | Joback Calculated Property |
| Cp,gas | 1307.40 | J/mol×K | 1069.05 | Joback Calculated Property |
| Cp,gas | 1321.19 | J/mol×K | 1107.79 | Joback Calculated Property |
| Cp,gas | 1333.45 | J/mol×K | 1146.54 | Joback Calculated Property |
| Cp,gas | 1344.23 | J/mol×K | 1185.28 | Joback Calculated Property |
| Cp,gas | 1353.59 | J/mol×K | 1224.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, pentafluorophenyl tridecyl ester.
Sources
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