- InChI
- InChI=1S/C7H12O2/c1-5(2)7(9)4-6(3)8/h5H,4H2,1-3H3
- InChI Key
- KHZGUWAFFHXZLC-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- CC(=O)CC(=O)C(C)C
- Molecular Weight1
- 128.17
- CAS
- 7307-03-1
- Other Names
-
- 5-Methyl-2,4-hexanedione (enol)
- 5-Methyl-2,4-hexanedione
- 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° | -252.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.70 | kJ/mol | NIST |
| ΔfusH° | 13.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.28 | kJ/mol | Joback Calculated Property |
| log10WS | -1.07 | Crippen Calculated Property | |
| logPoct/wat | 1.191 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Inp | [940.17; 950.54] |
|
|
| Inp | 940.17 | NIST | |
| Inp | 944.07 | NIST | |
| Inp | 945.33 | NIST | |
| Inp | 950.54 | NIST | |
| Inp | 940.17 | NIST | |
| Tboil | 466.86 | K | Joback Calculated Property |
| Tc | 658.82 | K | Joback Calculated Property |
| Tfus | 253.51 | K | Joback Calculated Property |
| Vc | 0.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.52; 292.41] | J/mol×K | [466.86; 658.82] |
|
| Cp,gas | 233.52 | J/mol×K | 466.86 | Joback Calculated Property |
| Cp,gas | 244.55 | J/mol×K | 498.85 | Joback Calculated Property |
| Cp,gas | 255.07 | J/mol×K | 530.85 | Joback Calculated Property |
| Cp,gas | 265.11 | J/mol×K | 562.84 | Joback Calculated Property |
| Cp,gas | 274.67 | J/mol×K | 594.83 | Joback Calculated Property |
| Cp,gas | 283.77 | J/mol×K | 626.83 | Joback Calculated Property |
| Cp,gas | 292.41 | J/mol×K | 658.82 | Joback Calculated Property |
| η | [0.0003337; 0.0049833] | Pa×s | [253.51; 466.86] |
|
| η | 0.0049833 | Pa×s | 253.51 | Joback Calculated Property |
| η | 0.0024070 | Pa×s | 289.07 | Joback Calculated Property |
| η | 0.0013635 | Pa×s | 324.63 | Joback Calculated Property |
| η | 0.0008641 | Pa×s | 360.19 | Joback Calculated Property |
| η | 0.0005944 | Pa×s | 395.74 | Joback Calculated Property |
| η | 0.0004349 | Pa×s | 431.30 | Joback Calculated Property |
| η | 0.0003337 | Pa×s | 466.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methylhexane-2,4-dione, keto form.
Sources
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