- InChI
- InChI=1S/C7H13ClO/c1-4-5(2)7(8)6(3)9/h5,7H,4H2,1-3H3
- InChI Key
- DVQTVIPKAAGOPF-UHFFFAOYSA-N
- Formula
- C7H13ClO
- SMILES
- CCC(C)C(Cl)C(C)=O
- Molecular Weight1
- 148.63
- 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).
- 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° | -137.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -326.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.53 | kJ/mol | Joback Calculated Property |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 123.300 | ml/mol | McGowan Calculated Property |
| Pc | 2928.17 | kPa | Joback Calculated Property |
| Inp | [940.00; 940.00] |
|
|
| Inp | 940.00 | NIST | |
| Inp | 940.00 | NIST | |
| Tboil | 449.98 | K | Joback Calculated Property |
| Tc | 641.72 | K | Joback Calculated Property |
| Tfus | 218.50 | K | Joback Calculated Property |
| Vc | 0.470 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.70; 305.03] | J/mol×K | [449.98; 641.72] |
|
| Cp,gas | 242.70 | J/mol×K | 449.98 | Joback Calculated Property |
| Cp,gas | 254.38 | J/mol×K | 481.94 | Joback Calculated Property |
| Cp,gas | 265.53 | J/mol×K | 513.89 | Joback Calculated Property |
| Cp,gas | 276.15 | J/mol×K | 545.85 | Joback Calculated Property |
| Cp,gas | 286.27 | J/mol×K | 577.81 | Joback Calculated Property |
| Cp,gas | 295.89 | J/mol×K | 609.77 | Joback Calculated Property |
| Cp,gas | 305.03 | J/mol×K | 641.72 | Joback Calculated Property |
| η | [0.0003048; 0.0095406] | Pa×s | [218.50; 449.98] |
|
| η | 0.0095406 | Pa×s | 218.50 | Joback Calculated Property |
| η | 0.0034936 | Pa×s | 257.08 | Joback Calculated Property |
| η | 0.0016628 | Pa×s | 295.66 | Joback Calculated Property |
| η | 0.0009394 | Pa×s | 334.24 | Joback Calculated Property |
| η | 0.0005973 | Pa×s | 372.82 | Joback Calculated Property |
| η | 0.0004134 | Pa×s | 411.40 | Joback Calculated Property |
| η | 0.0003048 | Pa×s | 449.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanone, 3-chloro-4-methyl.
Sources
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