- InChI
- InChI=1S/C17H17ClO2/c1-17(2,3)12-6-9-15(19)14(10-12)16(20)11-4-7-13(18)8-5-11/h4-10,19H,1-3H3
- InChI Key
- HMWLCGKWJDGQSS-UHFFFAOYSA-N
- Formula
- C17H17ClO2
- SMILES
-
CC(C)(C)c1ccc(O)c(C(=O)c2ccc(C
l)cc2)c1 - Molecular Weight1
- 288.77
- CAS
- 72083-19-3
- 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° | 5.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.16 | kJ/mol | Joback Calculated Property |
| log10WS | -4.98 | Crippen Calculated Property | |
| logPoct/wat | 4.574 | Crippen Calculated Property | |
| McVol | 222.550 | ml/mol | McGowan Calculated Property |
| Pc | 2441.06 | kPa | Joback Calculated Property |
| Tboil | 820.37 | K | Joback Calculated Property |
| Tc | 1075.28 | K | Joback Calculated Property |
| Tfus | 553.22 | K | Joback Calculated Property |
| Vc | 0.781 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.60; 694.89] | J/mol×K | [820.37; 1075.28] | 
|
| Cp,gas | 620.60 | J/mol×K | 820.37 | Joback Calculated Property |
| Cp,gas | 634.46 | J/mol×K | 862.86 | Joback Calculated Property |
| Cp,gas | 647.48 | J/mol×K | 905.34 | Joback Calculated Property |
| Cp,gas | 659.85 | J/mol×K | 947.83 | Joback Calculated Property |
| Cp,gas | 671.75 | J/mol×K | 990.31 | Joback Calculated Property |
| Cp,gas | 683.37 | J/mol×K | 1032.80 | Joback Calculated Property |
| Cp,gas | 694.89 | J/mol×K | 1075.28 | Joback Calculated Property |
| η | [0.0000057; 0.0001120] | Pa×s | [553.22; 820.37] |
|
| η | 0.0001120 | Pa×s | 553.22 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 597.75 | Joback Calculated Property |
| η | 0.0000316 | Pa×s | 642.27 | Joback Calculated Property |
| η | 0.0000190 | Pa×s | 686.80 | Joback Calculated Property |
| η | 0.0000122 | Pa×s | 731.32 | Joback Calculated Property |
| η | 0.0000082 | Pa×s | 775.85 | Joback Calculated Property |
| η | 0.0000057 | Pa×s | 820.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (5-Tert-butyl-2-hydroxyphenyl)(4-chlorophenyl)methanone.
Sources
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