- InChI
- InChI=1S/C19H9F5O2/c20-14-13(15(21)17(23)18(24)16(14)22)19(25)26-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
- InChI Key
- ZZIFUUFUMSUZNP-UHFFFAOYSA-N
- Formula
- C19H9F5O2
- SMILES
-
O=C(Oc1ccc(-c2ccccc2)cc1)c1c(F
)c(F)c(F)c(F)c1F - Molecular Weight1
- 364.27
- 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° | -819.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1020.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.76 | kJ/mol | Joback Calculated Property |
| log10WS | -7.82 | Crippen Calculated Property | |
| logPoct/wat | 5.268 | Crippen Calculated Property | |
| McVol | 223.580 | ml/mol | McGowan Calculated Property |
| Pc | 1861.11 | kPa | Joback Calculated Property |
| Inp | 2271.00 | NIST | |
| Tboil | 816.68 | K | Joback Calculated Property |
| Tc | 1036.39 | K | Joback Calculated Property |
| Tfus | 533.38 | K | Joback Calculated Property |
| Vc | 0.889 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.05; 675.25] | J/mol×K | [816.68; 1036.39] | 
|
| Cp,gas | 621.05 | J/mol×K | 816.68 | Joback Calculated Property |
| Cp,gas | 632.54 | J/mol×K | 853.30 | Joback Calculated Property |
| Cp,gas | 643.00 | J/mol×K | 889.92 | Joback Calculated Property |
| Cp,gas | 652.47 | J/mol×K | 926.53 | Joback Calculated Property |
| Cp,gas | 660.98 | J/mol×K | 963.15 | Joback Calculated Property |
| Cp,gas | 668.56 | J/mol×K | 999.77 | Joback Calculated Property |
| Cp,gas | 675.25 | J/mol×K | 1036.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, 4-biphenyl ester.
Sources
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