- InChI
- InChI=1S/C6H8Cl2O/c7-6(8)4-2-1-3-5(6)9/h1-4H2
- InChI Key
- AGFDSLIZRUCCKJ-UHFFFAOYSA-N
- Formula
- C6H8Cl2O
- SMILES
- O=C1CCCCC1(Cl)Cl
- Molecular Weight1
- 167.03
- ω : Acentric Factor.
- 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).
- 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 | 0.2858 | Relay (... Calculated Property | |
| ΔfG° | -127.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -249.65 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 4.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.21 | kJ/mol | Relay (... Calculated Property |
| IE | 9.77 | eV | Relay (... Calculated Property |
| log10WS | -2.35 | Relay (... Calculated Property | |
| logPoct/wat | 2.303 | Crippen Calculated Property | |
| McVol | 110.590 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback Calculated Property |
| Inp | [1147.00; 1147.00] |
|
|
| Inp | 1147.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Tboil | 458.93 | K | Relay (... Calculated Property |
| Tc | 703.57 | K | Relay (... Calculated Property |
| Tfus | 290.62 | K | Relay (... Calculated Property |
| Vc | 0.379 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.17; 282.89] | J/mol×K | [499.15; 749.97] |
|
| Cp,gas | 216.17 | J/mol×K | 499.15 | Joback Calculated Property |
| Cp,gas | 229.26 | J/mol×K | 540.95 | Joback Calculated Property |
| Cp,gas | 241.39 | J/mol×K | 582.76 | Joback Calculated Property |
| Cp,gas | 252.71 | J/mol×K | 624.56 | Joback Calculated Property |
| Cp,gas | 263.32 | J/mol×K | 666.36 | Joback Calculated Property |
| Cp,gas | 273.34 | J/mol×K | 708.16 | Joback Calculated Property |
| Cp,gas | 282.89 | J/mol×K | 749.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, 2,2-dichloro.
Sources
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