- InChI
- InChI=1S/C7H13ClO/c1-3-6(2)4-7(9)5-8/h6H,3-5H2,1-2H3
- InChI Key
- ZDTXTFYNBLDNOW-UHFFFAOYSA-N
- Formula
- C7H13ClO
- SMILES
- CCC(C)CC(=O)CCl
- 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° | -135.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.92 | kJ/mol | Joback Calculated Property |
| log10WS | -1.94 | Crippen Calculated Property | |
| logPoct/wat | 2.230 | Crippen Calculated Property | |
| McVol | 123.300 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Inp | [1031.00; 1031.00] |
|
|
| Inp | 1031.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Tboil | 450.42 | K | Joback Calculated Property |
| Tc | 637.88 | K | Joback Calculated Property |
| Tfus | 233.50 | K | Joback Calculated Property |
| Vc | 0.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.58; 303.29] | J/mol×K | [450.42; 637.88] |
|
| Cp,gas | 242.58 | J/mol×K | 450.42 | Joback Calculated Property |
| Cp,gas | 253.92 | J/mol×K | 481.66 | Joback Calculated Property |
| Cp,gas | 264.75 | J/mol×K | 512.91 | Joback Calculated Property |
| Cp,gas | 275.09 | J/mol×K | 544.15 | Joback Calculated Property |
| Cp,gas | 284.95 | J/mol×K | 575.40 | Joback Calculated Property |
| Cp,gas | 294.35 | J/mol×K | 606.64 | Joback Calculated Property |
| Cp,gas | 303.29 | J/mol×K | 637.88 | Joback Calculated Property |
| η | [0.0003194; 0.0060348] | Pa×s | [233.50; 450.42] |
|
| η | 0.0060348 | Pa×s | 233.50 | Joback Calculated Property |
| η | 0.0026628 | Pa×s | 269.65 | Joback Calculated Property |
| η | 0.0014257 | Pa×s | 305.81 | Joback Calculated Property |
| η | 0.0008712 | Pa×s | 341.96 | Joback Calculated Property |
| η | 0.0005849 | Pa×s | 378.11 | Joback Calculated Property |
| η | 0.0004210 | Pa×s | 414.27 | Joback Calculated Property |
| η | 0.0003194 | Pa×s | 450.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanone, 1-chloro-4-methyl.
Sources
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