- InChI
- InChI=1S/C22H18ClFO3/c1-14(15-7-4-3-5-8-15)18-13-16(26-2)11-12-20(18)27-22(25)17-9-6-10-19(23)21(17)24/h3-14H,1-2H3
- InChI Key
- FUZXJQGZLVYYLG-UHFFFAOYSA-N
- Formula
- C22H18ClFO3
- SMILES
-
COc1ccc(OC(=O)c2cccc(Cl)c2F)c(
C(C)c2ccccc2)c1 - Molecular Weight1
- 384.83
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7941 | Relay (... Calculated Property | |
| ΔfG° | -115.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -448.80 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.66 | kJ/mol | Relay (... Calculated Property |
| IE | 7.96 | eV | Relay (... Calculated Property |
| log10WS | -6.74 | Relay (... Calculated Property | |
| logPoct/wat | 5.859 | Crippen Calculated Property | |
| McVol | 276.880 | ml/mol | McGowan Calculated Property |
| Pc | 1676.91 | kPa | Joback Calculated Property |
| Inp | 2877.00 | NIST | |
| Tboil | 687.47 | K | Relay (... Calculated Property |
| Tc | 998.66 | K | Relay (... Calculated Property |
| Tfus | 344.45 | K | Relay (... Calculated Property |
| Vc | 0.983 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [810.43; 862.89] | J/mol×K | [937.69; 1182.51] | 
|
| Cp,gas | 810.43 | J/mol×K | 937.69 | Joback Calculated Property |
| Cp,gas | 822.64 | J/mol×K | 978.49 | Joback Calculated Property |
| Cp,gas | 833.40 | J/mol×K | 1019.30 | Joback Calculated Property |
| Cp,gas | 842.75 | J/mol×K | 1060.10 | Joback Calculated Property |
| Cp,gas | 850.75 | J/mol×K | 1100.90 | Joback Calculated Property |
| Cp,gas | 857.45 | J/mol×K | 1141.71 | Joback Calculated Property |
| Cp,gas | 862.89 | J/mol×K | 1182.51 | Joback Calculated Property |
Similar Compounds
Sources
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