- InChI
- InChI=1S/C20H17F5O4/c1-2-3-4-8-28-19(26)11-6-5-7-12(9-11)20(27)29-10-13-14(21)16(23)18(25)17(24)15(13)22/h5-7,9H,2-4,8,10H2,1H3
- InChI Key
- GDZWBFXTGVPMMF-UHFFFAOYSA-N
- Formula
- C20H17F5O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)OCc2c(F
)c(F)c(F)c(F)c2F)c1 - Molecular Weight1
- 416.34
- 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° | -1157.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1522.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.86 | kJ/mol | Joback Calculated Property |
| log10WS | -7.40 | Crippen Calculated Property | |
| logPoct/wat | 5.086 | Crippen Calculated Property | |
| McVol | 268.870 | ml/mol | McGowan Calculated Property |
| Pc | 1372.76 | kPa | Joback Calculated Property |
| Inp | [2487.00; 2487.00] |
|
|
| Inp | 2487.00 | NIST | |
| Inp | 2487.00 | NIST | |
| Tboil | 889.17 | K | Joback Calculated Property |
| Tc | 1093.67 | K | Joback Calculated Property |
| Tfus | 590.39 | K | Joback Calculated Property |
| Vc | 1.077 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [811.97; 866.38] | J/mol×K | [889.17; 1093.67] |
|
| Cp,gas | 811.97 | J/mol×K | 889.17 | Joback Calculated Property |
| Cp,gas | 823.73 | J/mol×K | 923.25 | Joback Calculated Property |
| Cp,gas | 834.40 | J/mol×K | 957.34 | Joback Calculated Property |
| Cp,gas | 844.00 | J/mol×K | 991.42 | Joback Calculated Property |
| Cp,gas | 852.52 | J/mol×K | 1025.51 | Joback Calculated Property |
| Cp,gas | 859.98 | J/mol×K | 1059.59 | Joback Calculated Property |
| Cp,gas | 866.38 | J/mol×K | 1093.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pentafluorobenzyl pentyl ester.
Sources
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