- InChI
- InChI=1S/C16H14Cl2O2/c1-9(2)10-4-6-15(19)12(7-10)16(20)11-3-5-13(17)14(18)8-11/h3-9,19H,1-2H3
- InChI Key
- XXAJPJDOUPKTPR-UHFFFAOYSA-N
- Formula
- C16H14Cl2O2
- SMILES
-
CC(C)c1ccc(O)c(C(=O)c2ccc(Cl)c
(Cl)c2)c1 - Molecular Weight1
- 309.19
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -302.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.54 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.053 | Crippen Calculated Property | |
| McVol | 220.700 | ml/mol | McGowan Calculated Property |
| Tboil | 624.25 | K | Relay (1.0) Calculated Property |
| Tfus | 374.86 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [584.88; 650.22] | J/mol×K | [842.69; 1096.61] | 
|
| Cp,gas | 584.88 | J/mol×K | 842.69 | Joback Calculated Property |
| Cp,gas | 597.12 | J/mol×K | 885.01 | Joback Calculated Property |
| Cp,gas | 608.64 | J/mol×K | 927.33 | Joback Calculated Property |
| Cp,gas | 619.57 | J/mol×K | 969.65 | Joback Calculated Property |
| Cp,gas | 630.06 | J/mol×K | 1011.97 | Joback Calculated Property |
| Cp,gas | 640.23 | J/mol×K | 1054.29 | Joback Calculated Property |
| Cp,gas | 650.22 | J/mol×K | 1096.61 | Joback Calculated Property |
| η | [0.0000063; 0.0001049] | Pa×s | [566.97; 842.69] |
|
| η | 0.0001049 | Pa×s | 566.97 | Joback Calculated Property |
| η | 0.0000551 | Pa×s | 612.92 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 658.88 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 704.83 | Joback Calculated Property |
| η | 0.0000128 | Pa×s | 750.78 | Joback Calculated Property |
| η | 0.0000088 | Pa×s | 796.74 | Joback Calculated Property |
| η | 0.0000063 | Pa×s | 842.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3',4'-Dichloro-2-hydroxy-5-isopropylbenzophenone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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