- InChI
- InChI=1S/C22H8F10O4/c23-11-9(12(24)16(28)19(31)15(11)27)5-35-21(33)7-2-1-3-8(4-7)22(34)36-6-10-13(25)17(29)20(32)18(30)14(10)26/h1-4H,5-6H2
- InChI Key
- KCNITRSOMNWVTA-UHFFFAOYSA-N
- Formula
- C22H8F10O4
- SMILES
-
O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1
cccc(C(=O)OCc2c(F)c(F)c(F)c(F) c2F)c1 - Molecular Weight1
- 526.28
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1955.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.792 | Crippen Calculated Property | |
| McVol | 282.140 | ml/mol | McGowan Calculated Property |
| Pc | 1222.55 | kPa | Joback Calculated Property |
| Inp | 2677.00 | NIST | |
| Tboil | 676.44 | K | Relay (1.0) Calculated Property |
| Tc | 906.48 | K | Relay (1.0) Calculated Property |
| Tfus | 388.48 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [847.22; 874.44] | J/mol×K | [982.86; 1203.41] | 
|
| Cp,gas | 847.22 | J/mol×K | 982.86 | Joback Calculated Property |
| Cp,gas | 855.09 | J/mol×K | 1019.62 | Joback Calculated Property |
| Cp,gas | 861.63 | J/mol×K | 1056.38 | Joback Calculated Property |
| Cp,gas | 866.84 | J/mol×K | 1093.14 | Joback Calculated Property |
| Cp,gas | 870.72 | J/mol×K | 1129.90 | Joback Calculated Property |
| Cp,gas | 873.25 | J/mol×K | 1166.65 | Joback Calculated Property |
| Cp,gas | 874.44 | J/mol×K | 1203.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(pentafluorobenzyl) ester.
Sources
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