- InChI
- InChI=1S/C23H18F4O3/c1-14(15-6-4-3-5-7-15)18-13-17(29-2)9-11-21(18)30-22(28)19-12-16(24)8-10-20(19)23(25,26)27/h3-14H,1-2H3
- InChI Key
- DKBWHCRDNDVQRC-UHFFFAOYSA-N
- Formula
- C23H18F4O3
- SMILES
-
COc1ccc(OC(=O)c2cc(F)ccc2C(F)(
F)F)c(C(C)c2ccccc2)c1 - Molecular Weight1
- 418.38
- 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° | -676.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1029.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.88 | kJ/mol | Joback Calculated Property |
| log10WS | -7.60 | Crippen Calculated Property | |
| logPoct/wat | 6.224 | Crippen Calculated Property | |
| McVol | 284.040 | ml/mol | McGowan Calculated Property |
| Pc | 1460.13 | kPa | Joback Calculated Property |
| Inp | [2515.00; 2515.00] |
|
|
| Inp | 2515.00 | NIST | |
| Inp | 2515.00 | NIST | |
| Tboil | 917.72 | K | Joback Calculated Property |
| Tc | 1145.42 | K | Joback Calculated Property |
| Tfus | 562.48 | K | Joback Calculated Property |
| Vc | 1.097 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [868.82; 926.76] | J/mol×K | [917.72; 1145.42] |
|
| Cp,gas | 868.82 | J/mol×K | 917.72 | Joback Calculated Property |
| Cp,gas | 881.40 | J/mol×K | 955.67 | Joback Calculated Property |
| Cp,gas | 892.71 | J/mol×K | 993.62 | Joback Calculated Property |
| Cp,gas | 902.83 | J/mol×K | 1031.57 | Joback Calculated Property |
| Cp,gas | 911.83 | J/mol×K | 1069.52 | Joback Calculated Property |
| Cp,gas | 919.78 | J/mol×K | 1107.47 | Joback Calculated Property |
| Cp,gas | 926.76 | J/mol×K | 1145.42 | Joback Calculated Property |
Similar Compounds
Sources
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