- InChI
- InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3
- InChI Key
- FNENWZWNOPCZGK-UHFFFAOYSA-N
- Formula
- C7H12O3
- SMILES
- CCOC(=O)C(C)C(C)=O
- Molecular Weight1
- 144.17
- CAS
- 609-14-3
- Other Names
-
- Acetoacetic acid, 2-methyl-, ethyl ester
- «alpha»-Methylacetoacetic ester
- Ethyl «alpha»-acetylpropionate
- Ethyl «alpha»-methylacetoacetate
- Ethyl «alpha»-methylacetylacetate
- Ethyl 2-acetylpropionate
- Ethyl 2-methyl-3-oxobutanoate
- Ethyl 2-methyl-3-oxobutyrate
- Ethyl 2-methylacetoacetate
- Ethyl methylacetoacetate
- 2-Methylacetoacetic acid ethyl ester
- Ethyl ester of 2-methyl-3-oxobutanoic acid
- 2-Methyl-3-oxobutanoic acid ethyl ester
- NSC 1102
- 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).
- 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° | -357.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.69 | kJ/mol | Joback Calculated Property |
| log10WS | -0.65 | Crippen Calculated Property | |
| logPoct/wat | 0.775 | Crippen Calculated Property | |
| McVol | 118.500 | ml/mol | McGowan Calculated Property |
| Pc | 3181.14 | kPa | Joback Calculated Property |
| Tboil | 460.20 | K | NIST |
| Tc | 680.12 | K | Joback Calculated Property |
| Tfus | 275.74 | K | Joback Calculated Property |
| Vc | 0.452 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.03; 314.54] | J/mol×K | [489.28; 680.12] | 
|
| Cp,gas | 256.03 | J/mol×K | 489.28 | Joback Calculated Property |
| Cp,gas | 266.86 | J/mol×K | 521.09 | Joback Calculated Property |
| Cp,gas | 277.26 | J/mol×K | 552.89 | Joback Calculated Property |
| Cp,gas | 287.23 | J/mol×K | 584.70 | Joback Calculated Property |
| Cp,gas | 296.77 | J/mol×K | 616.51 | Joback Calculated Property |
| Cp,gas | 305.87 | J/mol×K | 648.32 | Joback Calculated Property |
| Cp,gas | 314.54 | J/mol×K | 680.12 | Joback Calculated Property |
| η | [0.0002827; 0.0036824] | Pa×s | [275.74; 489.28] |
|
| η | 0.0036824 | Pa×s | 275.74 | Joback Calculated Property |
| η | 0.0018798 | Pa×s | 311.33 | Joback Calculated Property |
| η | 0.0011016 | Pa×s | 346.92 | Joback Calculated Property |
| η | 0.0007130 | Pa×s | 382.51 | Joback Calculated Property |
| η | 0.0004970 | Pa×s | 418.10 | Joback Calculated Property |
| η | 0.0003666 | Pa×s | 453.69 | Joback Calculated Property |
| η | 0.0002827 | Pa×s | 489.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-methyl-3-oxo-, ethyl ester.
Sources
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