- InChI
- InChI=1S/C6H10Cl2O/c1-3-5(8)6(9)4(2)7/h4-5H,3H2,1-2H3
- InChI Key
- CDOGVHILADCNET-UHFFFAOYSA-N
- Formula
- C6H10Cl2O
- SMILES
- CCC(Cl)C(=O)C(C)Cl
- Molecular Weight1
- 169.05
- 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° | -158.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.69 | kJ/mol | Joback Calculated Property |
| log10WS | -2.14 | Crippen Calculated Property | |
| logPoct/wat | 2.200 | Crippen Calculated Property | |
| McVol | 121.450 | ml/mol | McGowan Calculated Property |
| Pc | 3124.49 | kPa | Joback Calculated Property |
| Inp | [976.00; 976.00] |
|
|
| Inp | 976.00 | NIST | |
| Inp | 976.00 | NIST | |
| Tboil | 464.53 | K | Joback Calculated Property |
| Tc | 664.81 | K | Joback Calculated Property |
| Tfus | 237.15 | K | Joback Calculated Property |
| Vc | 0.464 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.95; 280.67] | J/mol×K | [464.53; 664.81] |
|
| Cp,gas | 227.95 | J/mol×K | 464.53 | Joback Calculated Property |
| Cp,gas | 237.97 | J/mol×K | 497.91 | Joback Calculated Property |
| Cp,gas | 247.47 | J/mol×K | 531.29 | Joback Calculated Property |
| Cp,gas | 256.47 | J/mol×K | 564.67 | Joback Calculated Property |
| Cp,gas | 265.00 | J/mol×K | 598.05 | Joback Calculated Property |
| Cp,gas | 273.06 | J/mol×K | 631.43 | Joback Calculated Property |
| Cp,gas | 280.67 | J/mol×K | 664.81 | Joback Calculated Property |
| η | [0.0003362; 0.0080703] | Pa×s | [237.15; 464.53] |
|
| η | 0.0080703 | Pa×s | 237.15 | Joback Calculated Property |
| η | 0.0032987 | Pa×s | 275.05 | Joback Calculated Property |
| η | 0.0016746 | Pa×s | 312.94 | Joback Calculated Property |
| η | 0.0009842 | Pa×s | 350.84 | Joback Calculated Property |
| η | 0.0006416 | Pa×s | 388.74 | Joback Calculated Property |
| η | 0.0004513 | Pa×s | 426.63 | Joback Calculated Property |
| η | 0.0003362 | Pa×s | 464.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexanone, 2,4-dichloro, (RS, SR).
Sources
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