- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3650 | Relay (1.0) Calculated Property | |
| ΔfG° | -158.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.73 | Relay (1.0) 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 | [1011.00; 1011.00] |
|
|
| Inp | 1011.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Tboil | 444.76 | K | Relay (1.0) Calculated Property |
| Tc | 653.82 | K | Relay (1.0) Calculated Property |
| Tfus | 280.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.02; 280.73] | J/mol×K | [464.73; 665.09] |
|
| Cp,gas | 228.02 | J/mol×K | 464.73 | Joback Calculated Property |
| Cp,gas | 238.03 | J/mol×K | 498.12 | Joback Calculated Property |
| Cp,gas | 247.53 | J/mol×K | 531.52 | Joback Calculated Property |
| Cp,gas | 256.54 | J/mol×K | 564.91 | Joback Calculated Property |
| Cp,gas | 265.06 | J/mol×K | 598.30 | Joback Calculated Property |
| Cp,gas | 273.12 | J/mol×K | 631.70 | Joback Calculated Property |
| Cp,gas | 280.73 | J/mol×K | 665.09 | Joback Calculated Property |
| η | [0.0003357; 0.0080703] | Pa×s | [237.15; 464.73] |
|
| η | 0.0080703 | Pa×s | 237.15 | Joback Calculated Property |
| η | 0.0032965 | Pa×s | 275.08 | Joback Calculated Property |
| η | 0.0016728 | Pa×s | 313.01 | Joback Calculated Property |
| η | 0.0009829 | Pa×s | 350.94 | Joback Calculated Property |
| η | 0.0006407 | Pa×s | 388.87 | Joback Calculated Property |
| η | 0.0004506 | Pa×s | 426.80 | Joback Calculated Property |
| η | 0.0003357 | Pa×s | 464.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexanone, 2,4-dichloro, (RR, SS).
Sources
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