- InChI
- InChI=1S/C8H7ClO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3
- InChI Key
- XTGCUDZCCIRWHL-UHFFFAOYSA-N
- Formula
- C8H7ClO2
- SMILES
- CC(=O)c1cc(Cl)ccc1O
- Molecular Weight1
- 170.59
- CAS
- 1450-74-4
- Other Names
-
- Acetophenone, 5'-chloro-2'-hydroxy-
- 2-Acetyl-4-chlorophenol
- 5'-Chloro-2'-hydroxyacetophenone
- 2'-Hydroxy-5'-chloroacetophenone
- 5-Chloro-2-hydroxyacetophenone
- 1-(5-chloro-2-hydroxyphenyl)ethan-1-one
- 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° | -176.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.48 | kJ/mol | Joback Calculated Property |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 2.248 | Crippen Calculated Property | |
| McVol | 119.500 | ml/mol | McGowan Calculated Property |
| Pc | 4474.22 | kPa | Joback Calculated Property |
| Tboil | 586.02 | K | Joback Calculated Property |
| Tc | 826.59 | K | Joback Calculated Property |
| Tfus | 410.43 | K | Joback Calculated Property |
| Vc | 0.397 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.23; 304.58] | J/mol×K | [586.02; 826.59] | 
|
| Cp,gas | 258.23 | J/mol×K | 586.02 | Joback Calculated Property |
| Cp,gas | 267.48 | J/mol×K | 626.12 | Joback Calculated Property |
| Cp,gas | 276.01 | J/mol×K | 666.21 | Joback Calculated Property |
| Cp,gas | 283.90 | J/mol×K | 706.31 | Joback Calculated Property |
| Cp,gas | 291.23 | J/mol×K | 746.40 | Joback Calculated Property |
| Cp,gas | 298.10 | J/mol×K | 786.50 | Joback Calculated Property |
| Cp,gas | 304.58 | J/mol×K | 826.59 | Joback Calculated Property |
| η | [0.0000530; 0.0009664] | Pa×s | [410.43; 586.02] |
|
| η | 0.0009664 | Pa×s | 410.43 | Joback Calculated Property |
| η | 0.0005072 | Pa×s | 439.69 | Joback Calculated Property |
| η | 0.0002884 | Pa×s | 468.96 | Joback Calculated Property |
| η | 0.0001753 | Pa×s | 498.23 | Joback Calculated Property |
| η | 0.0001126 | Pa×s | 527.49 | Joback Calculated Property |
| η | 0.0000758 | Pa×s | 556.75 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 586.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(5-chloro-2-hydroxyphenyl)-.
Sources
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