- InChI
- InChI=1S/C19H23F5O5/c1-2-3-4-5-6-7-8-28-13(25)10-27-11-14(26)29-9-12-15(20)17(22)19(24)18(23)16(12)21/h2-11H2,1H3
- InChI Key
- ILYMSZYQYQCWDL-UHFFFAOYSA-N
- Formula
- C19H23F5O5
- SMILES
-
CCCCCCCCOC(=O)COCC(=O)OCc1c(F)
c(F)c(F)c(F)c1F - Molecular Weight1
- 426.37
- 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° | -1373.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1858.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.11 | kJ/mol | Joback Calculated Property |
| log10WS | -5.84 | Crippen Calculated Property | |
| logPoct/wat | 4.346 | Crippen Calculated Property | |
| McVol | 284.410 | ml/mol | McGowan Calculated Property |
| Pc | 1160.08 | kPa | Joback Calculated Property |
| Inp | [2810.00; 2810.00] |
|
|
| Inp | 2810.00 | NIST | |
| Inp | 2810.00 | NIST | |
| Tboil | 857.05 | K | Joback Calculated Property |
| Tc | 1049.45 | K | Joback Calculated Property |
| Tfus | 562.41 | K | Joback Calculated Property |
| Vc | 1.147 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [881.73; 948.01] | J/mol×K | [857.05; 1049.45] |
|
| Cp,gas | 881.73 | J/mol×K | 857.05 | Joback Calculated Property |
| Cp,gas | 895.48 | J/mol×K | 889.12 | Joback Calculated Property |
| Cp,gas | 908.15 | J/mol×K | 921.18 | Joback Calculated Property |
| Cp,gas | 919.75 | J/mol×K | 953.25 | Joback Calculated Property |
| Cp,gas | 930.27 | J/mol×K | 985.31 | Joback Calculated Property |
| Cp,gas | 939.69 | J/mol×K | 1017.38 | Joback Calculated Property |
| Cp,gas | 948.01 | J/mol×K | 1049.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, octyl pentafluorobenzyl ester.
Sources
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