- InChI
- InChI=1S/C20H4F10O4/c21-7-9(23)13(27)17(14(28)10(7)24)33-19(31)5-3-1-2-4-6(5)20(32)34-18-15(29)11(25)8(22)12(26)16(18)30/h1-4H
- InChI Key
- XNHCTIRBMWXOHR-UHFFFAOYSA-N
- Formula
- C20H4F10O4
- SMILES
-
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1c
cccc1C(=O)Oc1c(F)c(F)c(F)c(F)c 1F - Molecular Weight1
- 498.23
- 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° | -2067.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2323.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.37 | kJ/mol | Joback Calculated Property |
| log10WS | -8.96 | Crippen Calculated Property | |
| logPoct/wat | 5.516 | Crippen Calculated Property | |
| McVol | 253.960 | ml/mol | McGowan Calculated Property |
| Pc | 1404.84 | kPa | Joback Calculated Property |
| Inp | [2179.00; 2179.00] |
|
|
| Inp | 2179.00 | NIST | |
| Inp | 2179.00 | NIST | |
| Tboil | 937.10 | K | Joback Calculated Property |
| Tc | 1148.45 | K | Joback Calculated Property |
| Tfus | 682.36 | K | Joback Calculated Property |
| Vc | 1.060 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.31; 763.23] | J/mol×K | [937.10; 1148.45] |
|
| Cp,gas | 735.31 | J/mol×K | 937.10 | Joback Calculated Property |
| Cp,gas | 742.78 | J/mol×K | 972.32 | Joback Calculated Property |
| Cp,gas | 749.14 | J/mol×K | 1007.55 | Joback Calculated Property |
| Cp,gas | 754.37 | J/mol×K | 1042.77 | Joback Calculated Property |
| Cp,gas | 758.47 | J/mol×K | 1078.00 | Joback Calculated Property |
| Cp,gas | 761.43 | J/mol×K | 1113.22 | Joback Calculated Property |
| Cp,gas | 763.23 | J/mol×K | 1148.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, di(pentafluorophenyl) ester.
Sources
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