- InChI
- InChI=1S/C8H6Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
- InChI Key
- WBPAOUHWPONFEQ-UHFFFAOYSA-N
- Formula
- C8H6Cl2O
- SMILES
- CC(=O)c1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 189.04
- CAS
- 2642-63-9
- Other Names
-
- 1-(3,4-dichlorophenyl)ethan-1-one
- 3',4'-dichloroacetophenone
- 3,4-Dichloroacetophenone
- Acetophenone, 3',4'-dichloro-
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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° | -43.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -138.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.52 | kJ/mol | Joback Calculated Property |
| log10WS | -3.50 | Crippen Calculated Property | |
| logPoct/wat | 3.196 | Crippen Calculated Property | |
| McVol | 125.870 | ml/mol | McGowan Calculated Property |
| Pc | 3476.55 | kPa | Joback Calculated Property |
| Tboil | 547.81 | K | Joback Calculated Property |
| Tc | 782.69 | K | Joback Calculated Property |
| Tfus | 341.15 | K | Joback Calculated Property |
| Vc | 0.479 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.65; 285.50] | J/mol×K | [547.81; 782.69] | 
|
| Cp,gas | 237.65 | J/mol×K | 547.81 | Joback Calculated Property |
| Cp,gas | 247.15 | J/mol×K | 586.96 | Joback Calculated Property |
| Cp,gas | 256.00 | J/mol×K | 626.10 | Joback Calculated Property |
| Cp,gas | 264.24 | J/mol×K | 665.25 | Joback Calculated Property |
| Cp,gas | 271.89 | J/mol×K | 704.39 | Joback Calculated Property |
| Cp,gas | 278.97 | J/mol×K | 743.54 | Joback Calculated Property |
| Cp,gas | 285.50 | J/mol×K | 782.69 | Joback Calculated Property |
| η | [0.0002927; 0.0016858] | Pa×s | [341.15; 547.81] |
|
| η | 0.0016858 | Pa×s | 341.15 | Joback Calculated Property |
| η | 0.0011014 | Pa×s | 375.59 | Joback Calculated Property |
| η | 0.0007729 | Pa×s | 410.04 | Joback Calculated Property |
| η | 0.0005730 | Pa×s | 444.48 | Joback Calculated Property |
| η | 0.0004435 | Pa×s | 478.92 | Joback Calculated Property |
| η | 0.0003553 | Pa×s | 513.37 | Joback Calculated Property |
| η | 0.0002927 | Pa×s | 547.81 | Joback Calculated Property |
| ΔvapH | 90.80 | kJ/mol | 298.15 | Thermoc... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 408.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Ethanone, 1-(3,4-dichlorophenyl)-.
Sources
- Crippen Method
- Crippen Method
- Thermochemical study of some dichloroacetophenone isomers
- Joback Method
- McGowan Method
- NIST Webbook
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