- InChI
- InChI=1S/C17H16Cl2O2/c1-17(2,3)11-5-7-15(20)12(9-11)16(21)10-4-6-13(18)14(19)8-10/h4-9,20H,1-3H3
- InChI Key
- ACKNHGGPBUIMJN-UHFFFAOYSA-N
- Formula
- C17H16Cl2O2
- SMILES
-
CC(C)(C)c1ccc(O)c(C(=O)c2ccc(C
l)c(Cl)c2)c1 - Molecular Weight1
- 323.21
- CAS
- 94622-10-3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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° | -16.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.21 | kJ/mol | Joback Calculated Property |
| log10WS | -5.66 | Crippen Calculated Property | |
| logPoct/wat | 5.228 | Crippen Calculated Property | |
| McVol | 234.790 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| Tboil | 862.78 | K | Joback Calculated Property |
| Tc | 1119.96 | K | Joback Calculated Property |
| Tfus | 595.66 | K | Joback Calculated Property |
| Vc | 0.831 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [640.66; 711.42] | J/mol×K | [862.78; 1119.96] | 
|
| Cp,gas | 640.66 | J/mol×K | 862.78 | Joback Calculated Property |
| Cp,gas | 653.47 | J/mol×K | 905.64 | Joback Calculated Property |
| Cp,gas | 665.64 | J/mol×K | 948.51 | Joback Calculated Property |
| Cp,gas | 677.34 | J/mol×K | 991.37 | Joback Calculated Property |
| Cp,gas | 688.74 | J/mol×K | 1034.23 | Joback Calculated Property |
| Cp,gas | 700.05 | J/mol×K | 1077.10 | Joback Calculated Property |
| Cp,gas | 711.42 | J/mol×K | 1119.96 | Joback Calculated Property |
| η | [0.0000045; 0.0000656] | Pa×s | [595.66; 862.78] |
|
| η | 0.0000656 | Pa×s | 595.66 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 640.18 | Joback Calculated Property |
| η | 0.0000212 | Pa×s | 684.70 | Joback Calculated Property |
| η | 0.0000134 | Pa×s | 729.22 | Joback Calculated Property |
| η | 0.0000089 | Pa×s | 773.74 | Joback Calculated Property |
| η | 0.0000062 | Pa×s | 818.26 | Joback Calculated Property |
| η | 0.0000045 | Pa×s | 862.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (5-Tert-butyl-2-hydroxyphenyl)(3,4-dichlorophenyl)methanone.
Sources
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