- InChI
- InChI=1S/C12H14Cl2O/c1-2-12(8-13,9-14)11(15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
- InChI Key
- ADOXRJBMXKQBCH-UHFFFAOYSA-N
- Formula
- C12H14Cl2O
- SMILES
- CCC(CCl)(CCl)C(=O)c1ccccc1
- Molecular Weight1
- 245.15
- 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).
- Inp : Non-polar retention indices.
- 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° | 12.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -207.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.80 | kJ/mol | Joback Calculated Property |
| log10WS | -3.87 | Crippen Calculated Property | |
| logPoct/wat | 3.743 | Crippen Calculated Property | |
| McVol | 182.230 | ml/mol | McGowan Calculated Property |
| Pc | 2424.27 | kPa | Joback Calculated Property |
| Inp | 1705.00 | NIST | |
| Tboil | 626.14 | K | Joback Calculated Property |
| Tc | 855.03 | K | Joback Calculated Property |
| Tfus | 363.61 | K | Joback Calculated Property |
| Vc | 0.693 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [426.85; 496.87] | J/mol×K | [626.14; 855.03] | 
|
| Cp,gas | 426.85 | J/mol×K | 626.14 | Joback Calculated Property |
| Cp,gas | 441.02 | J/mol×K | 664.29 | Joback Calculated Property |
| Cp,gas | 454.08 | J/mol×K | 702.44 | Joback Calculated Property |
| Cp,gas | 466.12 | J/mol×K | 740.59 | Joback Calculated Property |
| Cp,gas | 477.21 | J/mol×K | 778.73 | Joback Calculated Property |
| Cp,gas | 487.43 | J/mol×K | 816.88 | Joback Calculated Property |
| Cp,gas | 496.87 | J/mol×K | 855.03 | Joback Calculated Property |
| η | [0.0001829; 0.0026032] | Pa×s | [363.61; 626.14] |
|
| η | 0.0026032 | Pa×s | 363.61 | Joback Calculated Property |
| η | 0.0013184 | Pa×s | 407.37 | Joback Calculated Property |
| η | 0.0007619 | Pa×s | 451.12 | Joback Calculated Property |
| η | 0.0004851 | Pa×s | 494.88 | Joback Calculated Property |
| η | 0.0003324 | Pa×s | 538.63 | Joback Calculated Property |
| η | 0.0002411 | Pa×s | 582.38 | Joback Calculated Property |
| η | 0.0001829 | Pa×s | 626.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyl-2,2-bis(chloromethyl)-1-butanone.
Sources
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