- InChI
- InChI=1S/C7H12O2/c1-5(8)7(3,4)6(2)9/h1-4H3
- InChI Key
- SWGDHTSWHSSMLE-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- CC(=O)C(C)(C)C(C)=O
- Molecular Weight1
- 128.17
- CAS
- 3142-58-3
- Other Names
-
- 2,4-Pentanedione, 3,3-dimethyl-
- Dimethylacetylacetone
- 3,3-Dimethylacetylacetone
- 3,3-dimethylpentane-2,4-dione
- 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).
- 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° | -246.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.37 | kJ/mol | Joback Calculated Property |
| IE | 9.30 | eV | NIST |
| log10WS | -1.07 | Crippen Calculated Property | |
| logPoct/wat | 1.191 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3284.05 | kPa | Joback Calculated Property |
| Tboil | 464.07 | K | Joback Calculated Property |
| Tc | 664.02 | K | Joback Calculated Property |
| Tfus | 270.93 | K | Joback Calculated Property |
| Vc | 0.428 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.33; 297.47] | J/mol×K | [464.07; 664.02] | 
|
| Cp,gas | 236.33 | J/mol×K | 464.07 | Joback Calculated Property |
| Cp,gas | 248.11 | J/mol×K | 497.39 | Joback Calculated Property |
| Cp,gas | 259.22 | J/mol×K | 530.72 | Joback Calculated Property |
| Cp,gas | 269.68 | J/mol×K | 564.04 | Joback Calculated Property |
| Cp,gas | 279.52 | J/mol×K | 597.37 | Joback Calculated Property |
| Cp,gas | 288.77 | J/mol×K | 630.69 | Joback Calculated Property |
| Cp,gas | 297.47 | J/mol×K | 664.02 | Joback Calculated Property |
| η | [0.0003530; 0.0048257] | Pa×s | [270.93; 464.07] |
|
| η | 0.0048257 | Pa×s | 270.93 | Joback Calculated Property |
| η | 0.0024760 | Pa×s | 303.12 | Joback Calculated Property |
| η | 0.0014441 | Pa×s | 335.31 | Joback Calculated Property |
| η | 0.0009256 | Pa×s | 367.50 | Joback Calculated Property |
| η | 0.0006374 | Pa×s | 399.69 | Joback Calculated Property |
| η | 0.0004640 | Pa×s | 431.88 | Joback Calculated Property |
| η | 0.0003530 | Pa×s | 464.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-Dimethyl-2,4-pentane dione.
Sources
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