- 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
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.4481 | Relay (1.0) Calculated Property | |
| ΔfG° | -433.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.775 | Crippen Calculated Property | |
| McVol | 118.500 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Tboil | 460.20 | K | NIST |
| Tc | 632.71 | K | Relay (1.0) Calculated Property |
| Tfus | 253.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.37; 312.09] | J/mol×K | [471.41; 659.16] | 
|
| Cp,gas | 252.37 | J/mol×K | 471.41 | Joback Calculated Property |
| Cp,gas | 263.49 | J/mol×K | 502.70 | Joback Calculated Property |
| Cp,gas | 274.14 | J/mol×K | 533.99 | Joback Calculated Property |
| Cp,gas | 284.33 | J/mol×K | 565.28 | Joback Calculated Property |
| Cp,gas | 294.05 | J/mol×K | 596.57 | Joback Calculated Property |
| Cp,gas | 303.30 | J/mol×K | 627.86 | Joback Calculated Property |
| Cp,gas | 312.09 | J/mol×K | 659.16 | Joback Calculated Property |
| η | [0.0002665; 0.0065158] | Pa×s | [245.91; 471.41] |
|
| η | 0.0065158 | Pa×s | 245.91 | Joback Calculated Property |
| η | 0.0026867 | Pa×s | 283.49 | Joback Calculated Property |
| η | 0.0013632 | Pa×s | 321.08 | Joback Calculated Property |
| η | 0.0007973 | Pa×s | 358.66 | Joback Calculated Property |
| η | 0.0005163 | Pa×s | 396.24 | Joback Calculated Property |
| η | 0.0003605 | Pa×s | 433.83 | Joback Calculated Property |
| η | 0.0002665 | Pa×s | 471.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-methyl-3-oxo-, ethyl ester.
Sources
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