- InChI
- InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
- InChI Key
- WRQNANDWMGAFTP-UHFFFAOYSA-N
- Formula
- C5H8O3
- SMILES
- COC(=O)CC(C)=O
- Molecular Weight1
- 116.12
- CAS
- 105-45-3
- Other Names
-
- 3-Oxobutanoic acid methyl ester
- 3-oxobutanoic acid, methyl ester
- Acetoacetic methyl ester
- Butanoic acid, 3-oxo-, methyl ester
- Methyl 3-oxobutyrate
- Methyl acetylacetate
- Methyl acetylacetonate
- Methylester kyseliny acetoctove
- acetoacetic acid, methyl ester
- methyl 3-oxobutanoate
- 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).
- Pc : Critical Pressure (kPa).
- ρl : Liquid Density (kg/m3).
- I : Polar retention indices.
- γ : Surface Tension (N/m).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -2487.70 | kJ/mol | NIST |
| ΔfG° | -371.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -503.91 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -623.21 | kJ/mol | NIST |
| ΔfusH° | 13.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.63 | kJ/mol | Joback Calculated Property |
| IE | 9.81 | eV | NIST |
| log10WS | -0.06 | Crippen Calculated Property | |
| logPoct/wat | 0.138 | Crippen Calculated Property | |
| McVol | 90.320 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| I | 1396.00 | NIST | |
| Tboil | 443.96 | K | Joback Calculated Property |
| Tc | 634.74 | K | Joback Calculated Property |
| Tfus | 241.25 | K | NIST |
| Vc | 0.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.41; 220.34] | J/mol×K | [443.96; 634.74] | 
|
| Cp,gas | 176.41 | J/mol×K | 443.96 | Joback Calculated Property |
| Cp,gas | 184.43 | J/mol×K | 475.76 | Joback Calculated Property |
| Cp,gas | 192.17 | J/mol×K | 507.55 | Joback Calculated Property |
| Cp,gas | 199.65 | J/mol×K | 539.35 | Joback Calculated Property |
| Cp,gas | 206.83 | J/mol×K | 571.15 | Joback Calculated Property |
| Cp,gas | 213.74 | J/mol×K | 602.95 | Joback Calculated Property |
| Cp,gas | 220.34 | J/mol×K | 634.74 | Joback Calculated Property |
| η | [0.0003266; 0.0025634] | Pa×s | [268.20; 443.96] |
|
| η | 0.0025634 | Pa×s | 268.20 | Joback Calculated Property |
| η | 0.0015356 | Pa×s | 297.49 | Joback Calculated Property |
| η | 0.0010084 | Pa×s | 326.79 | Joback Calculated Property |
| η | 0.0007096 | Pa×s | 356.08 | Joback Calculated Property |
| η | 0.0005268 | Pa×s | 385.37 | Joback Calculated Property |
| η | 0.0004079 | Pa×s | 414.67 | Joback Calculated Property |
| η | 0.0003266 | Pa×s | 443.96 | Joback Calculated Property |
| ΔvapH | 45.40 | kJ/mol | 367.50 | NIST |
| ρl | [1016.95; 1081.93] | kg/m3 | [288.20; 348.20] |
|
| ρl | 1081.93 | kg/m3 | 288.20 | Excess ... |
| ρl | 1071.18 | kg/m3 | 298.20 | Excess ... |
| ρl | 1055.01 | kg/m3 | 313.20 | Excess ... |
| ρl | 1038.78 | kg/m3 | 328.20 | Excess ... |
| ρl | 1027.89 | kg/m3 | 338.20 | Excess ... |
| ρl | 1016.95 | kg/m3 | 348.20 | Excess ... |
| γ | 0.04 | N/m | 298.15 | Concent... |
Similar Compounds
Find more compounds similar to Methyl acetoacetate.
Mixtures
- Methyl acetoacetate + Water
- Methyl acetoacetate + Methyl Alcohol
- Ethanol + Methyl acetoacetate
- 1-Propanol + Methyl acetoacetate
- Isopropyl Alcohol + Methyl acetoacetate
Sources
- Crippen Method
- Crippen Method
- 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
- Concentration Dependence of Surface Tension for Very Dilute Aqueous Solutions of Organic Non-Electrolytes
- Excess Molar Enthalpies of Methyl Acetoacetate + (Methanol, + Ethanol, + 1-Propanol, and + 2-Propanol) at T = (288.2, 298.2, 313.2, and 328.2) K and p = 101.3 kPa
- 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
- Joback Method
- McGowan Method
- NIST Webbook
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