- InChI
- InChI=1S/C22H16F2O4/c23-17-9-5-15(6-10-17)13-27-21(25)19-3-1-2-4-20(19)22(26)28-14-16-7-11-18(24)12-8-16/h1-12H,13-14H2
- InChI Key
- LUFIBCXJLIJZMJ-UHFFFAOYSA-N
- Formula
- C22H16F2O4
- SMILES
-
O=C(OCc1ccc(F)cc1)c1ccccc1C(=O
)OCc1ccc(F)cc1 - Molecular Weight1
- 382.36
- 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° | -414.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -704.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.06 | kJ/mol | Joback Calculated Property |
| log10WS | -6.84 | Crippen Calculated Property | |
| logPoct/wat | 4.679 | Crippen Calculated Property | |
| McVol | 267.980 | ml/mol | McGowan Calculated Property |
| Pc | 1765.41 | kPa | Joback Calculated Property |
| Inp | 3774.00 | NIST | |
| Tboil | 948.86 | K | Joback Calculated Property |
| Tc | 1185.72 | K | Joback Calculated Property |
| Tfus | 600.02 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [804.89; 851.20] | J/mol×K | [948.86; 1185.72] | 
|
| Cp,gas | 804.89 | J/mol×K | 948.86 | Joback Calculated Property |
| Cp,gas | 815.84 | J/mol×K | 988.34 | Joback Calculated Property |
| Cp,gas | 825.43 | J/mol×K | 1027.81 | Joback Calculated Property |
| Cp,gas | 833.71 | J/mol×K | 1067.29 | Joback Calculated Property |
| Cp,gas | 840.73 | J/mol×K | 1106.76 | Joback Calculated Property |
| Cp,gas | 846.55 | J/mol×K | 1146.24 | Joback Calculated Property |
| Cp,gas | 851.20 | J/mol×K | 1185.72 | Joback Calculated Property |
Similar Compounds
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Sources
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