- InChI
- InChI=1S/C23H18F4O4/c24-22-18(23(25,26)27)7-3-8-19(22)31-21(29)10-4-9-20(28)30-14-15-11-12-16-5-1-2-6-17(16)13-15/h1-3,5-8,11-13H,4,9-10,14H2
- InChI Key
- GWBBYJZNBVYCBS-UHFFFAOYSA-N
- Formula
- C23H18F4O4
- SMILES
-
O=C(CCCC(=O)Oc1cccc(C(F)(F)F)c
1F)OCc1ccc2ccccc2c1 - Molecular Weight1
- 434.38
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.9309 | Relay (1.0) Calculated Property | |
| ΔfG° | -798.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1298.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.817 | Crippen Calculated Property | |
| McVol | 289.910 | ml/mol | McGowan Calculated Property |
| Pc | 1442.44 | kPa | Joback Calculated Property |
| Tboil | 725.89 | K | Relay (1.0) Calculated Property |
| Tc | 971.01 | K | Relay (1.0) Calculated Property |
| Tfus | 359.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.058 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [901.29; 957.54] | J/mol×K | [959.35; 1183.42] | 
|
| Cp,gas | 901.29 | J/mol×K | 959.35 | Joback Calculated Property |
| Cp,gas | 912.78 | J/mol×K | 996.69 | Joback Calculated Property |
| Cp,gas | 923.31 | J/mol×K | 1034.04 | Joback Calculated Property |
| Cp,gas | 932.96 | J/mol×K | 1071.38 | Joback Calculated Property |
| Cp,gas | 941.82 | J/mol×K | 1108.73 | Joback Calculated Property |
| Cp,gas | 949.99 | J/mol×K | 1146.07 | Joback Calculated Property |
| Cp,gas | 957.54 | J/mol×K | 1183.42 | Joback Calculated Property |
Similar Compounds
Sources
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