- InChI
- InChI=1S/C6H10Cl2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3
- InChI Key
- UDWZXMQIEHAAQT-UHFFFAOYSA-N
- Formula
- C6H10Cl2O
- SMILES
- CC(C)(C)C(=O)C(Cl)Cl
- Molecular Weight1
- 169.05
- CAS
- 22591-21-5
- Other Names
-
- 1,1-Dichloro-3,3-dimethyl-2-butanone
- Dichloromethyl tert-butyl ketone
- Dichloropinacolin
- «alpha»,«alpha»-Dichloropinacolin
- Dichloropinakolin
- «omega»,«omega»-Dichlorpinakolin
- 1,1-dichloro-3,3-dimethylbutan-2-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° | -152.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -325.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 2.405 | Crippen Calculated Property | |
| McVol | 121.450 | ml/mol | McGowan Calculated Property |
| Pc | 3163.27 | kPa | Joback Calculated Property |
| Tboil | 461.74 | K | Joback Calculated Property |
| Tc | 670.58 | K | Joback Calculated Property |
| Tfus | [321.20; 324.00] | K |
|
| Tfus | 321.20 ± 0.50 | K | NIST |
| Tfus | 324.00 ± 2.00 | K | NIST |
| Vc | 0.459 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.86; 285.58] | J/mol×K | [461.74; 670.58] |
|
| Cp,gas | 230.86 | J/mol×K | 461.74 | Joback Calculated Property |
| Cp,gas | 241.62 | J/mol×K | 496.55 | Joback Calculated Property |
| Cp,gas | 251.67 | J/mol×K | 531.35 | Joback Calculated Property |
| Cp,gas | 261.06 | J/mol×K | 566.16 | Joback Calculated Property |
| Cp,gas | 269.82 | J/mol×K | 600.97 | Joback Calculated Property |
| Cp,gas | 277.98 | J/mol×K | 635.77 | Joback Calculated Property |
| Cp,gas | 285.58 | J/mol×K | 670.58 | Joback Calculated Property |
| η | [0.0003566; 0.0076920] | Pa×s | [254.57; 461.74] |
|
| η | 0.0076920 | Pa×s | 254.57 | Joback Calculated Property |
| η | 0.0033961 | Pa×s | 289.10 | Joback Calculated Property |
| η | 0.0017852 | Pa×s | 323.63 | Joback Calculated Property |
| η | 0.0010623 | Pa×s | 358.15 | Joback Calculated Property |
| η | 0.0006925 | Pa×s | 392.68 | Joback Calculated Property |
| η | 0.0004838 | Pa×s | 427.21 | Joback Calculated Property |
| η | 0.0003566 | Pa×s | 461.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 1,1-dichloro-3,3-dimethyl-.
Sources
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