- InChI
- InChI=1S/C6H9ClO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
- InChI Key
- CCHNWURRBFGQCD-UHFFFAOYSA-N
- Formula
- C6H9ClO
- SMILES
- O=C1CCCCC1Cl
- Molecular Weight1
- 132.59
- CAS
- 822-87-7
- Other Names
-
- «alpha»-Chlorocyclohexanone
- 2-Chlorocyclohexanone
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -110.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -266.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.01 | kJ/mol | Joback Calculated Property |
| log10WS | -1.77 | Crippen Calculated Property | |
| logPoct/wat | 1.737 | Crippen Calculated Property | |
| McVol | 98.350 | ml/mol | McGowan Calculated Property |
| Pc | 3950.57 | kPa | Joback Calculated Property |
| Inp | 1026.00 | NIST | |
| Tboil | 461.48 | K | Joback Calculated Property |
| Tc | 695.41 | K | Joback Calculated Property |
| Tfus | 262.90 | K | Joback Calculated Property |
| Vc | 0.360 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.33; 263.90] | J/mol×K | [461.48; 695.41] | 
|
| Cp,gas | 190.33 | J/mol×K | 461.48 | Joback Calculated Property |
| Cp,gas | 204.24 | J/mol×K | 500.47 | Joback Calculated Property |
| Cp,gas | 217.50 | J/mol×K | 539.46 | Joback Calculated Property |
| Cp,gas | 230.12 | J/mol×K | 578.44 | Joback Calculated Property |
| Cp,gas | 242.06 | J/mol×K | 617.43 | Joback Calculated Property |
| Cp,gas | 253.33 | J/mol×K | 656.42 | Joback Calculated Property |
| Cp,gas | 263.90 | J/mol×K | 695.41 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [355.70; 367.00] | K | [1.30; 2.10] |
|
| Tboilr | 355.70 | K | 1.30 | NIST |
| Tboilr | 367.00 ± 2.00 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to Cyclohexanone, 2-chloro-.
Sources
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