- InChI
- InChI=1S/C21H13Cl2F3O3/c22-14-5-7-18(27)12(10-14)9-13-11-15(23)6-8-19(13)29-20(28)16-3-1-2-4-17(16)21(24,25)26/h1-8,10-11,27H,9H2
- InChI Key
- QXKLLOALYRKGCX-UHFFFAOYSA-N
- Formula
- C21H13Cl2F3O3
- SMILES
-
O=C(Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1
O)c1ccccc1C(F)(F)F - Molecular Weight1
- 441.23
- 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° | -569.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -863.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.01 | kJ/mol | Joback Calculated Property |
| log10WS | -7.68 | Crippen Calculated Property | |
| logPoct/wat | 6.528 | Crippen Calculated Property | |
| McVol | 278.570 | ml/mol | McGowan Calculated Property |
| Pc | 1896.95 | kPa | Joback Calculated Property |
| Inp | [3043.00; 3043.00] |
|
|
| Inp | 3043.00 | NIST | |
| Inp | 3043.00 | NIST | |
| Tboil | 1006.19 | K | Joback Calculated Property |
| Tc | 1256.83 | K | Joback Calculated Property |
| Tfus | 703.68 | K | Joback Calculated Property |
| Vc | 1.018 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [805.84; 870.24] | J/mol×K | [1006.19; 1256.83] |
|
| Cp,gas | 805.84 | J/mol×K | 1006.19 | Joback Calculated Property |
| Cp,gas | 816.89 | J/mol×K | 1047.96 | Joback Calculated Property |
| Cp,gas | 827.58 | J/mol×K | 1089.74 | Joback Calculated Property |
| Cp,gas | 838.09 | J/mol×K | 1131.51 | Joback Calculated Property |
| Cp,gas | 848.59 | J/mol×K | 1173.29 | Joback Calculated Property |
| Cp,gas | 859.25 | J/mol×K | 1215.06 | Joback Calculated Property |
| Cp,gas | 870.24 | J/mol×K | 1256.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichlorophen, O-(2-trifluoromethylbenzoyl)-.
Sources
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