- InChI
- InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
- InChI Key
- YRKCREAYFQTBPV-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- CC(=O)CC(C)=O
- Molecular Weight1
- 100.12
- CAS
- 123-54-6
- Other Names
-
- 2,4-Dioxopentane
- 2,4-PENTANEDIONE
- 2,4-Pentadione
- 2,4-Pentandione
- 2-Propanone, acetyl-
- ACAC
- ACETOACETONE
- Acetone, acetyl-
- Acetyl 2-propanone
- CH3COCH2COCH3
- DIACETYLMETHANE
- NSC 5575
- Pentan-2,4-dione
- Pentane-2,4-dione
- Pentanedione
- Pentanedione-2,4
- UN 2310
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| PAff | 873.50 | kJ/mol | NIST |
| BasG | 836.80 | kJ/mol | NIST |
| ΔcH°liquid | [-2687.00; -2581.90] | kJ/mol |
|
| ΔcH°liquid | -2685.40 ± 0.80 | kJ/mol | NIST |
| ΔcH°liquid | -2667.00 ± 12.00 | kJ/mol | NIST |
| ΔcH°liquid | -2687.00 ± 1.50 | kJ/mol | NIST |
| ΔcH°liquid | -2581.90 | kJ/mol | NIST |
| ΔfG° | -266.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-420.10; -376.10] | kJ/mol |
|
| ΔfH°gas | -384.40 ± 1.30 | kJ/mol | NIST |
| ΔfH°gas | -420.10 | kJ/mol | NIST |
| ΔfH°gas | -376.10 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | [-528.94; -414.10] | kJ/mol |
|
| ΔfH°liquid | -427.60 ± 1.10 | kJ/mol | NIST |
| ΔfH°liquid | -447.30 ± 8.00 | kJ/mol | NIST |
| ΔfH°liquid | -414.10 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -528.94 | kJ/mol | NIST |
| ΔfusH° | 11.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [41.78; 43.20] | kJ/mol |
|
| ΔvapH° | 41.78 | kJ/mol | NIST |
| ΔvapH° | 43.20 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 43.20 ± 1.00 | kJ/mol | NIST |
| IE | [8.82; 9.63] | eV |
|
| IE | 8.85 ± 0.02 | eV | NIST |
| IE | 8.85 ± 0.05 | eV | NIST |
| IE | 8.82 ± 0.02 | eV | NIST |
| IE | 8.87 ± 0.03 | eV | NIST |
| IE | Outlier 9.63 ± 0.01 | eV | NIST |
| IE | 9.15 | eV | NIST |
| IE | 9.00 | eV | NIST |
| IE | 9.18 ± 0.07 | eV | NIST |
| log10WS | 0.22 | Aq. Sol... | |
| logPoct/wat | 0.554 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| NFPA Health | 2 | KDB | |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Inp | [753.00; 804.00] |
|
|
| Inp | 786.60 | NIST | |
| Inp | 787.25 | NIST | |
| Inp | 763.43 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 753.00 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 804.00 | NIST | |
| Inp | 786.60 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 804.00 | NIST | |
| I | [1167.00; 1230.00] |
|
|
| I | 1196.00 | NIST | |
| I | 1167.00 | NIST | |
| I | 1200.00 | NIST | |
| I | 1230.00 | NIST | |
| I | 1196.00 | NIST | |
| I | 1167.00 | NIST | |
| I | 1230.00 | NIST | |
| Tboil | [409.15; 413.60] | K |
|
| Tboil | 413.60 | K | Isobari... |
| Tboil | 413.60 | K | NIST |
| Tboil | 411.00 | K | NIST |
| Tboil | 410.15 ± 1.50 | K | NIST |
| Tboil | 411.10 | K | NIST |
| Tboil | 410.15 ± 0.40 | K | NIST |
| Tboil | 410.65 ± 1.50 | K | NIST |
| Tboil | 410.70 ± 2.00 | K | NIST |
| Tboil | 409.15 ± 2.00 | K | NIST |
| Tboil | 409.15 ± 2.00 | K | NIST |
| Tc | 613.03 | K | Joback Calculated Property |
| Tfus | 249.95 ± 0.30 | K | NIST |
| Ttriple | 254.80 ± 0.20 | K | NIST |
| Vc | 0.328 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.11; 200.02] | J/mol×K | [421.54; 613.03] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 160 170 180 190 200 450 500 550 600 | ||||
| Cp,gas | 156.11 | J/mol×K | 421.54 | Joback Calculated Property |
| Cp,gas | 164.27 | J/mol×K | 453.45 | Joback Calculated Property |
| Cp,gas | 172.09 | J/mol×K | 485.37 | Joback Calculated Property |
| Cp,gas | 179.57 | J/mol×K | 517.28 | Joback Calculated Property |
| Cp,gas | 186.71 | J/mol×K | 549.20 | Joback Calculated Property |
| Cp,gas | 193.52 | J/mol×K | 581.11 | Joback Calculated Property |
| Cp,gas | 200.02 | J/mol×K | 613.03 | Joback Calculated Property |
| η | [0.0006090; 0.0007410] | Pa×s | [288.15; 308.15] |
|
| η | 0.0007410 | Pa×s | 288.15 | Viscosi... |
| η | 0.0006700 | Pa×s | 298.15 | Viscosi... |
| η | 0.0006090 | Pa×s | 308.15 | Viscosi... |
| ΔvapH | [34.30; 42.70] | kJ/mol | [304.00; 411.10] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 34 36 38 40 42 350 400 | ||||
| ΔvapH | 40.60 | kJ/mol | 304.00 | NIST |
| ΔvapH | 42.70 | kJ/mol | 333.00 | NIST |
| ΔvapH | 39.40 | kJ/mol | 347.50 | NIST |
| ΔvapH | 39.20 | kJ/mol | 360.50 | NIST |
| ΔvapH | 35.20 | kJ/mol | 394.50 | NIST |
| ΔvapH | 34.30 | kJ/mol | 411.10 | NIST |
| n0 | [1.44890; 1.45110] | [293.15; 298.15] |
|
|
|
T(K) Refractive Index 1.45 1.45 1.45 1.45 1.45 294 296 298 | ||||
| n0 | 1.45110 | 293.15 | (Vapor ... | |
| n0 | 1.44890 | 293.15 | Liquid-... | |
| n0 | 1.44910 | 293.15 | Isobari... | |
| n0 | 1.45090 | 298.15 | Liquid-... | |
| n0 | 1.44910 | 298.15 | Isobari... | |
| ρl | [939.30; 972.10] | kg/m3 | [298.15; 328.15] |
|
|
T(K) Liquid Density (kg/m3) 940 945 950 955 960 965 970 975 300 310 320 | ||||
| ρl | 972.10 | kg/m3 | 298.15 | Determi... |
| ρl | 971.07 | kg/m3 | 298.15 | Liquid-... |
| ρl | 972.00 | kg/m3 | 298.15 | Bubble ... |
| ρl | 972.10 | kg/m3 | 298.15 | Excess ... |
| ρl | 954.00 | kg/m3 | 313.15 | Determi... |
| ρl | 954.00 | kg/m3 | 313.15 | Excess ... |
| ρl | 939.30 | kg/m3 | 328.15 | Determi... |
| ρl | 939.30 | kg/m3 | 328.15 | Excess ... |
| γ | 0.03 | N/m | 298.15 | Concent... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 412.20 | K | 99.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [304.80; 438.09] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37695e+01 | |||
| Coefficient B | -3.02532e+03 | |||
| Coefficient C | -8.04060e+01 | |||
| Temperature range, min. | 304.80 | |||
| Temperature range, max. | 438.09 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 | ||||
| Pvap | 1.33 | kPa | 304.80 | Calculated Property |
| Pvap | 3.07 | kPa | 319.61 | Calculated Property |
| Pvap | 6.42 | kPa | 334.42 | Calculated Property |
| Pvap | 12.37 | kPa | 349.23 | Calculated Property |
| Pvap | 22.27 | kPa | 364.04 | Calculated Property |
| Pvap | 37.81 | kPa | 378.85 | Calculated Property |
| Pvap | 61.05 | kPa | 393.66 | Calculated Property |
| Pvap | 94.42 | kPa | 408.47 | Calculated Property |
| Pvap | 140.62 | kPa | 423.28 | Calculated Property |
| Pvap | 202.63 | kPa | 438.09 | Calculated Property |
| Pvap | [0.01; 4698.99] | kPa | [249.95; 602.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.91943e+02 | |||
| Coefficient B | -1.67244e+04 | |||
| Coefficient C | -4.19801e+01 | |||
| Coefficient D | 3.58083e-05 | |||
| Temperature range, min. | 249.95 | |||
| Temperature range, max. | 602.00 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 300 400 500 600 | ||||
| Pvap | 0.01 | kPa | 249.95 | Calculated Property |
| Pvap | 0.45 | kPa | 289.07 | Calculated Property |
| Pvap | 5.07 | kPa | 328.18 | Calculated Property |
| Pvap | 27.07 | kPa | 367.30 | Calculated Property |
| Pvap | 91.49 | kPa | 406.42 | Calculated Property |
| Pvap | 236.23 | kPa | 445.53 | Calculated Property |
| Pvap | 525.65 | kPa | 484.65 | Calculated Property |
| Pvap | 1092.09 | kPa | 523.77 | Calculated Property |
| Pvap | 2237.82 | kPa | 562.88 | Calculated Property |
| Pvap | 4698.99 | kPa | 602.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetylacetone.
Mixtures
- Propylene Carbonate + Acetylacetone
- 1-Butanol + Acetylacetone
- 1-Propanol, 2-methyl- + Acetylacetone
- 1-Pentanol + Acetylacetone
- Heptane + Acetylacetone
- Ethyl Acetate + Acetylacetone
- Acetylacetone + Water
- Acetonitrile + Acetylacetone
- Ethylbenzene + Acetylacetone
- Ethyl Acetate + Acetylacetone + Water
- Acetylacetone + Cyclohexane + Water
- Trichloromethane + Acetylacetone
- Trichloromethane + Acetylacetone + Water
- Acetylacetone + Methyl Alcohol
- Ethanol + Acetylacetone
- 1-Propanol + Acetylacetone
- Isopropyl Alcohol + Acetylacetone
- 1-Propen-2-ol, acetate + Acetylacetone
- Acetic acid + Acetylacetone
- Acetylacetone + Cyclohexane
Find more mixtures with Acetylacetone.
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- Crippen Method
- Viscosity Behavior of Some Oxygen Containing Compounds
- Determination and correlation of molar excess enthalpies of binary systems 2,4-pentanedione + (1-butanol, + 2-methyl-1-propanol, + 1-pentanol, + 1-heptane, + ethyl acetate, and + water)
- Liquid-liquid equilibrium for the ternary systems of water + acetyl acetone + propyl acetate at several temperatures
- Liquid-liquid equilibria, excess molar volume and deviations of the refractive indices at 298.15 K for mixtures of solvents used in themolybdenum extraction process
- (Vapor + liquid) equilibrium of the binary mixtures formed by acetonitrile with selected compounds at 95.5 kPa
- Bubble point measurements of binary mixtures formed by ethyl benzene with selected compounds at 95.35 kPa
- Concentration Dependence of Surface Tension for Very Dilute Aqueous Solutions of Organic Non-Electrolytes
- Liquid-Liquid Equilibrium of (Water + Pentane-2,4-dione + Ethyl Ethanoate) and (Water + Pentane-2,4-dione + Cyclohexane) at (298.15 and 313.15) K
- Liquid-Liquid Equilibrium, Solid-Liquid Equilibrium, Densities, and Refractivity of a Water, Chloroform, and Acetylacetone Mixture
- Critical Assessment of CO2 Solubility in Volatile Solvents at 298.15 K
- Excess Enthalpies of 2,4-Pentanedione + (Methanol, + Ethanol, + 1-Propanol, and + 2-Propanol) at T = (298.15, 313.15, and 328.15) K and p = (0.1 and 10.0) MPa
- Isobaric Vapor Liquid Equilibria for Binary Systems of Acetone + Isopropenyl Acetate, 2-Butanone + Isopropenyl Acetate, and Isopropenyl Acetate + Acetylacetone at 101.3 kPa
- Measurement of Infinite Dilution Activity Coefficients of Alcohols, Ketones, and Aromatic Hydrocarbons in 4-Methyl-N-butylpyridinium Tetrafluoroborate and 1-Butyl-3-methylimidazolium Hexafluorophosphate by Gas-Liquid Chromatography
- Isobaric Vapor-Liquid Equilibria for the Binary Systems of Acetic Acid + Isopropenyl Acetate, Acetic Acid + Acetylacetone, and Water + Acetylacetone
- Solubility of 1,1'-(Ethane-1,2-diyl)-bis(3-methylpyridinium) Dihexafluorophosphate in Different Solvents
- Solubilities of 1,1?-(Propane-1,3-diyl)-bis(3-methyl-1H-imidazolium-1-yl) Dihexafluorophosphate in Different Solvents
- Isobaric Vapor-Liquid Equilibria for (Acetic Acid + Cyclohexane) and (Cyclohexane + Acetylacetone) at a Pressure of 101.3 kPa and for (Acetic Acid + Acetylacetone) at a Pressure of 60.0 kPa
- Solubility of 1,1'-(Butane-1,4-diyl)-bis(3-methyl-1H-imidazolium-1-yl) Dihexafluorophosphate in Water, Acetophenone, Cyclohexanone, Acetylacetone, and 2-Butanone
- Solubility of 1,1'-(Butane-1,4-diyl)-bis(3-methylpyridinium) Dihexafluorophosphate in Different Solvents from (288.15 to 333.15) K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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