- InChI
- InChI=1S/C16H15ClO2/c1-10(2)12-5-8-15(18)14(9-12)16(19)11-3-6-13(17)7-4-11/h3-10,18H,1-2H3
- InChI Key
- DJOYMWXKPGWCNA-UHFFFAOYSA-N
- Formula
- C16H15ClO2
- SMILES
-
CC(C)c1ccc(O)c(C(=O)c2ccc(Cl)c
c2)c1 - Molecular Weight1
- 274.74
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.7211 | Relay (1.0) Calculated Property | |
| ΔfG° | -8.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.400 | Crippen Calculated Property | |
| McVol | 208.460 | ml/mol | McGowan Calculated Property |
| Pc | 2659.77 | kPa | Joback Calculated Property |
| Tboil | 621.14 | K | Relay (1.0) Calculated Property |
| Tc | 917.72 | K | Relay (1.0) Calculated Property |
| Tfus | 373.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.728 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [565.02; 634.78] | J/mol×K | [800.28; 1051.79] | 
|
| Cp,gas | 565.02 | J/mol×K | 800.28 | Joback Calculated Property |
| Cp,gas | 578.35 | J/mol×K | 842.20 | Joback Calculated Property |
| Cp,gas | 590.80 | J/mol×K | 884.12 | Joback Calculated Property |
| Cp,gas | 602.54 | J/mol×K | 926.04 | Joback Calculated Property |
| Cp,gas | 613.69 | J/mol×K | 967.95 | Joback Calculated Property |
| Cp,gas | 624.39 | J/mol×K | 1009.87 | Joback Calculated Property |
| Cp,gas | 634.78 | J/mol×K | 1051.79 | Joback Calculated Property |
| η | [0.0000080; 0.0001815] | Pa×s | [524.53; 800.28] |
|
| η | 0.0001815 | Pa×s | 524.53 | Joback Calculated Property |
| η | 0.0000875 | Pa×s | 570.49 | Joback Calculated Property |
| η | 0.0000470 | Pa×s | 616.45 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 662.40 | Joback Calculated Property |
| η | 0.0000173 | Pa×s | 708.36 | Joback Calculated Property |
| η | 0.0000115 | Pa×s | 754.32 | Joback Calculated Property |
| η | 0.0000080 | Pa×s | 800.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4'-Chloro-2-hydroxy-5-isopropylbenzophenone.
Sources
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