- InChI
- InChI=1S/C21H19F5O4/c1-2-3-4-5-9-29-20(27)12-7-6-8-13(10-12)21(28)30-11-14-15(22)17(24)19(26)18(25)16(14)23/h6-8,10H,2-5,9,11H2,1H3
- InChI Key
- RYYOCMFHWXMQSQ-UHFFFAOYSA-N
- Formula
- C21H19F5O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OCc2c(
F)c(F)c(F)c(F)c2F)c1 - Molecular Weight1
- 430.37
- 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° | -1148.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1542.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.09 | kJ/mol | Joback Calculated Property |
| log10WS | -7.82 | Crippen Calculated Property | |
| logPoct/wat | 5.476 | Crippen Calculated Property | |
| McVol | 282.960 | ml/mol | McGowan Calculated Property |
| Pc | 1280.08 | kPa | Joback Calculated Property |
| Inp | [2590.00; 2590.00] |
|
|
| Inp | 2590.00 | NIST | |
| Inp | 2590.00 | NIST | |
| Tboil | 912.05 | K | Joback Calculated Property |
| Tc | 1119.10 | K | Joback Calculated Property |
| Tfus | 601.66 | K | Joback Calculated Property |
| Vc | 1.133 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [869.49; 924.42] | J/mol×K | [912.05; 1119.10] |
|
| Cp,gas | 869.49 | J/mol×K | 912.05 | Joback Calculated Property |
| Cp,gas | 881.51 | J/mol×K | 946.56 | Joback Calculated Property |
| Cp,gas | 892.37 | J/mol×K | 981.07 | Joback Calculated Property |
| Cp,gas | 902.08 | J/mol×K | 1015.58 | Joback Calculated Property |
| Cp,gas | 910.65 | J/mol×K | 1050.09 | Joback Calculated Property |
| Cp,gas | 918.10 | J/mol×K | 1084.59 | Joback Calculated Property |
| Cp,gas | 924.42 | J/mol×K | 1119.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl pentafluorobenzyl ester.
Sources
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