- InChI
- InChI=1S/C17H16F8O5/c1-28-10-5-2-3-6-11(10)30-13(27)8-4-7-12(26)29-9-15(20,21)17(24,25)16(22,23)14(18)19/h2-3,5-6,14H,4,7-9H2,1H3
- InChI Key
- LWXWDYXEIBGFPU-UHFFFAOYSA-N
- Formula
- C17H16F8O5
- SMILES
-
COc1ccccc1OC(=O)CCCC(=O)OCC(F)
(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 452.29
- 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° | -1930.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2391.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.28 | kJ/mol | Joback Calculated Property |
| log10WS | -5.37 | Crippen Calculated Property | |
| logPoct/wat | 4.485 | Crippen Calculated Property | |
| McVol | 261.540 | ml/mol | McGowan Calculated Property |
| Pc | 1318.48 | kPa | Joback Calculated Property |
| Inp | [2020.00; 2020.00] |
|
|
| Inp | 2020.00 | NIST | |
| Inp | 2020.00 | NIST | |
| Tboil | 779.05 | K | Joback Calculated Property |
| Tc | 961.25 | K | Joback Calculated Property |
| Tfus | 483.82 | K | Joback Calculated Property |
| Vc | 1.050 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [799.45; 860.38] | J/mol×K | [779.05; 961.25] |
|
| Cp,gas | 799.45 | J/mol×K | 779.05 | Joback Calculated Property |
| Cp,gas | 811.72 | J/mol×K | 809.42 | Joback Calculated Property |
| Cp,gas | 823.08 | J/mol×K | 839.78 | Joback Calculated Property |
| Cp,gas | 833.58 | J/mol×K | 870.15 | Joback Calculated Property |
| Cp,gas | 843.27 | J/mol×K | 900.52 | Joback Calculated Property |
| Cp,gas | 852.19 | J/mol×K | 930.88 | Joback Calculated Property |
| Cp,gas | 860.38 | J/mol×K | 961.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-methoxyphenyl ester.
Sources
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