- InChI
- InChI=1S/C7H11ClO/c1-7(8)5-3-2-4-6(7)9/h2-5H2,1H3
- InChI Key
- IDRWHLQDVSLCBJ-UHFFFAOYSA-N
- Formula
- C7H11ClO
- SMILES
- CC1(Cl)CCCCC1=O
- Molecular Weight1
- 146.62
- CAS
- 10409-46-8
- 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).
- 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° | -107.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -271.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 3.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.09 | kJ/mol | Joback Calculated Property |
| IE | 9.41 | eV | NIST |
| log10WS | -2.19 | Crippen Calculated Property | |
| logPoct/wat | 2.127 | Crippen Calculated Property | |
| McVol | 112.440 | ml/mol | McGowan Calculated Property |
| Pc | 3708.97 | kPa | Joback Calculated Property |
| Tboil | 484.60 | K | Joback Calculated Property |
| Tc | 725.07 | K | Joback Calculated Property |
| Tfus | 298.07 | K | Joback Calculated Property |
| Vc | 0.414 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.67; 310.65] | J/mol×K | [484.60; 725.07] | 
|
| Cp,gas | 232.67 | J/mol×K | 484.60 | Joback Calculated Property |
| Cp,gas | 247.83 | J/mol×K | 524.68 | Joback Calculated Property |
| Cp,gas | 261.98 | J/mol×K | 564.76 | Joback Calculated Property |
| Cp,gas | 275.23 | J/mol×K | 604.83 | Joback Calculated Property |
| Cp,gas | 287.68 | J/mol×K | 644.91 | Joback Calculated Property |
| Cp,gas | 299.46 | J/mol×K | 684.99 | Joback Calculated Property |
| Cp,gas | 310.65 | J/mol×K | 725.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone,2-chloro-2-methyl-.
Sources
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