- InChI
- InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
- InChI Key
- XYIBRDXRRQCHLP-UHFFFAOYSA-N
- Formula
- C6H10O3
- SMILES
- CCOC(=O)CC(C)=O
- Molecular Weight1
- 130.14
- CAS
- 141-97-9
- Other Names
-
- 1-Ethoxybutane-1,3-dione
- 3-Oxobutanoic acid ethyl ester
- 3-oxobutanoic acid, ethyl ester
- Acetoacetic acid, ethyl ester
- Acetoctan ethylnaty
- Active acetylacetate
- Butanoic acid, 3-oxo-, ethyl ester
- Diacetic ether
- EAA
- Ethyl 3-oxobutanoate
- Ethyl 3-oxobutyrate
- Ethyl acetylacetate
- Ethylacetacetat
- Ethylester kyseliny acetoctove
- NSC 8657
- acetoacetic acid ethyl ester
- ethyl 3-ketobutyrate
- ethyl acetonecarboxylate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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).
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-3178.10; -3149.76] | kJ/mol |
|
| ΔcH°liquid | -3149.76 ± 0.76 | kJ/mol | NIST |
| ΔcH°liquid | -3178.10 ± 7.70 | kJ/mol | NIST |
| ΔcH°liquid | -3153.00 | kJ/mol | NIST |
| ΔfG° | -363.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-586.20; -507.50] | kJ/mol |
|
| ΔfH°gas | -586.20 ± 1.50 | kJ/mol | NIST |
| ΔfH°gas | -558.00 | kJ/mol | NIST |
| ΔfH°gas | -507.50 | kJ/mol | NIST |
| ΔfH°liquid | [-640.40; -561.70] | kJ/mol |
|
| ΔfH°liquid | -640.40 ± 1.10 | kJ/mol | NIST |
| ΔfH°liquid | -612.20 ± 5.40 | kJ/mol | NIST |
| ΔfH°liquid | -561.70 | kJ/mol | NIST |
| ΔfusH° | 15.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [50.54; 54.20] | kJ/mol |
|
| ΔvapH° | 54.18 ± 0.96 | kJ/mol | NIST |
| ΔvapH° | 54.20 | kJ/mol | NIST |
| ΔvapH° | 54.20 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 50.54 | kJ/mol | NIST |
| log10WS | -0.48 | Crippen Calculated Property | |
| logPoct/wat | 0.529 | Crippen Calculated Property | |
| McVol | 104.410 | ml/mol | McGowan Calculated Property |
| Pc | 3522.09 | kPa | Joback Calculated Property |
| Inp | [903.00; 954.00] |
|
|
| Inp | 903.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 907.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 907.00 | NIST | |
| Inp | 944.40 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 930.00 | NIST | |
| I | [1427.00; 1496.00] |
|
|
| I | 1496.00 | NIST | |
| I | 1466.00 | NIST | |
| I | 1427.00 | NIST | |
| I | 1496.00 | NIST | |
| Tboil | 466.84 | K | Joback Calculated Property |
| Tc | 655.65 | K | Joback Calculated Property |
| Tfus | 230.15 | K | NIST |
| Vc | 0.402 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.00; 265.88] | J/mol×K | [466.84; 655.65] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 210 220 230 240 250 260 270 500 550 600 650 | ||||
| Cp,gas | 215.00 | J/mol×K | 466.84 | Joback Calculated Property |
| Cp,gas | 224.34 | J/mol×K | 498.31 | Joback Calculated Property |
| Cp,gas | 233.35 | J/mol×K | 529.78 | Joback Calculated Property |
| Cp,gas | 242.00 | J/mol×K | 561.25 | Joback Calculated Property |
| Cp,gas | 250.31 | J/mol×K | 592.71 | Joback Calculated Property |
| Cp,gas | 258.27 | J/mol×K | 624.18 | Joback Calculated Property |
| Cp,gas | 265.88 | J/mol×K | 655.65 | Joback Calculated Property |
| Cp,liquid | [241.80; 250.20] | J/mol×K | [297.50; 298.00] |
|
| Cp,liquid | 250.20 | J/mol×K | 297.50 | NIST |
| Cp,liquid | 246.90 | J/mol×K | 297.50 | NIST |
| Cp,liquid | 241.80 | J/mol×K | 298.00 | NIST |
| η | [0.0011440; 0.0019020] | Pa×s | [288.15; 318.15] |
|
| η | 0.0019020 | Pa×s | 288.15 | Densiti... |
| η | 0.0015810 | Pa×s | 298.15 | Densiti... |
| η | 0.0013440 | Pa×s | 308.15 | Densiti... |
| η | 0.0011440 | Pa×s | 318.15 | Densiti... |
| ΔvapH | [52.50; 61.60] | kJ/mol | [298.15; 377.50] |
|
| ΔvapH | 61.60 | kJ/mol | 298.15 | Thermoc... |
| ΔvapH | 52.50 | kJ/mol | 377.50 | NIST |
| n0 | [1.41200; 1.41660] | [298.15; 308.15] |
|
|
| n0 | 1.41660 | 298.15 | Density... | |
| n0 | 1.41450 | 303.15 | Density... | |
| n0 | 1.41200 | 308.15 | Density... | |
| ρl | [971.40; 1043.10] | kg/m3 | [278.15; 348.15] |
|
|
T(K) Liquid Density (kg/m3) 980 1000 1020 1040 280 300 320 340 | ||||
| ρl | 1043.10 | kg/m3 | 278.15 | Excess ... |
| ρl | 1034.50 | kg/m3 | 288.15 | Excess ... |
| ρl | 1023.50 | kg/m3 | 298.15 | Excess ... |
| ρl | 1023.45 | kg/m3 | 298.15 | Refract... |
| ρl | 1008.00 | kg/m3 | 313.15 | Excess ... |
| ρl | 992.10 | kg/m3 | 328.15 | Excess ... |
| ρl | 981.90 | kg/m3 | 338.15 | Excess ... |
| ρl | 971.40 | kg/m3 | 348.15 | Excess ... |
| γ | [0.03; 0.03] | N/m | [288.15; 358.15] |
|
|
T(K) Surface Tension (N/m) 0.03 0.03 0.03 0.03 0.03 300 320 340 | ||||
| γ | 0.03 | N/m | 288.15 | Densiti... |
| γ | 0.03 | N/m | 298.15 | Densiti... |
| γ | 0.03 | N/m | 308.15 | Densiti... |
| γ | 0.03 | N/m | 318.15 | Densiti... |
| γ | 0.03 | N/m | 328.15 | Densiti... |
| γ | 0.03 | N/m | 338.15 | Densiti... |
| γ | 0.03 | N/m | 348.15 | Densiti... |
| γ | 0.03 | N/m | 358.15 | Densiti... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 347.20 | K | 1.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [2.98e-04; 3223.24] | kPa | [234.15; 643.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 5.07456e+01 | |||
| Coefficient B | -7.62332e+03 | |||
| Coefficient C | -4.83240e+00 | |||
| Coefficient D | 1.05324e-06 | |||
| Temperature range, min. | 234.15 | |||
| Temperature range, max. | 643.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 300 400 500 600 | ||||
| Pvap | 2.98e-04 | kPa | 234.15 | Calculated Property |
| Pvap | 0.03 | kPa | 279.58 | Calculated Property |
| Pvap | 0.58 | kPa | 325.01 | Calculated Property |
| Pvap | 5.63 | kPa | 370.43 | Calculated Property |
| Pvap | 31.66 | kPa | 415.86 | Calculated Property |
| Pvap | 121.69 | kPa | 461.29 | Calculated Property |
| Pvap | 356.19 | kPa | 506.72 | Calculated Property |
| Pvap | 853.23 | kPa | 552.14 | Calculated Property |
| Pvap | 1757.35 | kPa | 597.57 | Calculated Property |
| Pvap | 3223.24 | kPa | 643.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl acetoacetate.
Mixtures
- Ethyl acetoacetate + Methyl Alcohol
- Ethanol + Ethyl acetoacetate
- 1-Propanol + Ethyl acetoacetate
- Isopropyl Alcohol + Ethyl acetoacetate
- Ethyl acetoacetate + 1,4-Dioxane
- Ethyl acetoacetate + Water
- 1-Butanol + Ethyl acetoacetate
- Ethyl acetoacetate + 1-Pentanol
- Ethyl acetoacetate + Ethyl Acetate
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Excess molar enthalpies of ethyl acetoacetate + (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
- Solute-Solvent Interactions of Alkyl Acetoacetates in Aqueous {1-Butyl-3-Methylimidazolium Bromide [bmim][Br]}Ionic Liquid Solutions in the Temperature Interval (288.15 - 308.15 ) K
- Density, Viscosity, Refractive Index, and Speed of Sound in the Binary Mixtures of 1,4-Dioxane + Ethyl Acetoacetate, + Diethyl Oxalate, + Diethyl Phthalate, or + Dioctyl Phthalate at 298.15, 303.15, and 308.15 K
- Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
- Thermochemistry of Ethyl 3-Oxobutanoate Revisited: Observance of a Non-Zero Enthalpy of Mixing between Tautomers and Its Effects on Enthalpies of Formation
- Densities and Viscosities of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at T ) (288.15, 298.15, 308.15, and 318.15) K
- Refractive Indices and Surface Tensions of Binary Mixtures of Ethyl Acetoacetate, Ethyl Isovalerate, Methyl Benzoate, Benzyl Acetate, Ethyl Salicylate, and Benzyl Propionate with Ethanol at (288.15, 298.15, 308.15, and 318.15) K
- Solute Solvent Interactions of Alkyl Acetoacetates in Aqueous {1-Butyl-3-methylimidazolium Chloride [bmim][Cl]} Ionic Liquid Solutions in the Temperature Interval (288.15 308.15) K
- Excess Molar Enthalpies of Five Binary Systems Containing Ethyl Acetoacetate at Different Temperatures
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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