- InChI
- InChI=1S/C6H8Cl2O/c7-4-2-1-3-5(8)6(4)9/h4-5H,1-3H2
- InChI Key
- MNOLFQQEONPNAT-UHFFFAOYSA-N
- Formula
- C6H8Cl2O
- SMILES
- O=C1C(Cl)CCCC1Cl
- Molecular Weight1
- 167.03
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -130.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.09 | kJ/mol | Joback Calculated Property |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 1.954 | Crippen Calculated Property | |
| McVol | 110.590 | ml/mol | McGowan Calculated Property |
| Pc | 3624.61 | kPa | Joback Calculated Property |
| Inp | [1206.00; 1206.00] |
|
|
| Inp | 1206.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Tboil | 494.24 | K | Joback Calculated Property |
| Tc | 733.96 | K | Joback Calculated Property |
| Tfus | 288.58 | K | Joback Calculated Property |
| Vc | 0.408 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.38; 289.30] | J/mol×K | [494.24; 733.96] |
|
| Cp,gas | 217.38 | J/mol×K | 494.24 | Joback Calculated Property |
| Cp,gas | 231.12 | J/mol×K | 534.19 | Joback Calculated Property |
| Cp,gas | 244.18 | J/mol×K | 574.15 | Joback Calculated Property |
| Cp,gas | 256.55 | J/mol×K | 614.10 | Joback Calculated Property |
| Cp,gas | 268.21 | J/mol×K | 654.05 | Joback Calculated Property |
| Cp,gas | 279.13 | J/mol×K | 694.00 | Joback Calculated Property |
| Cp,gas | 289.30 | J/mol×K | 733.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, 2,6-dichloro.
Sources
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