- InChI
- InChI=1S/C6H10O3/c1-4(5(2)7)6(8)9-3/h4H,1-3H3
- InChI Key
- NDTWZHURUDSPQV-UHFFFAOYSA-N
- Formula
- C6H10O3
- SMILES
- COC(=O)C(C)C(C)=O
- Molecular Weight1
- 130.14
- CAS
- 17094-21-2
- Other Names
-
- Acetoacetic acid, 2-methyl-, methyl ester
- Methyl «alpha»-methylacetoacetate
- Methyl 2-methyl-3-oxobutyrate
- methyl 2-methylacetoacetate
- methyl 2-methyl-3-oxobutanoate
- 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° | -365.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -529.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.46 | kJ/mol | Joback Calculated Property |
| log10WS | -0.24 | Crippen Calculated Property | |
| logPoct/wat | 0.384 | Crippen Calculated Property | |
| McVol | 104.410 | ml/mol | McGowan Calculated Property |
| Pc | 3555.77 | kPa | Joback Calculated Property |
| Tboil | 466.40 | K | Joback Calculated Property |
| Tc | 659.46 | K | Joback Calculated Property |
| Tfus | 264.47 | K | Joback Calculated Property |
| Vc | 0.396 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.20; 267.46] | J/mol×K | [466.40; 659.46] | 
|
| Cp,gas | 215.20 | J/mol×K | 466.40 | Joback Calculated Property |
| Cp,gas | 224.83 | J/mol×K | 498.58 | Joback Calculated Property |
| Cp,gas | 234.10 | J/mol×K | 530.75 | Joback Calculated Property |
| Cp,gas | 243.00 | J/mol×K | 562.93 | Joback Calculated Property |
| Cp,gas | 251.53 | J/mol×K | 595.11 | Joback Calculated Property |
| Cp,gas | 259.68 | J/mol×K | 627.28 | Joback Calculated Property |
| Cp,gas | 267.46 | J/mol×K | 659.46 | Joback Calculated Property |
| η | [0.0002994; 0.0036503] | Pa×s | [264.47; 466.40] |
|
| η | 0.0036503 | Pa×s | 264.47 | Joback Calculated Property |
| η | 0.0019016 | Pa×s | 298.12 | Joback Calculated Property |
| η | 0.0011308 | Pa×s | 331.78 | Joback Calculated Property |
| η | 0.0007400 | Pa×s | 365.44 | Joback Calculated Property |
| η | 0.0005201 | Pa×s | 399.09 | Joback Calculated Property |
| η | 0.0003862 | Pa×s | 432.75 | Joback Calculated Property |
| η | 0.0002994 | Pa×s | 466.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-methyl-3-oxo-, methyl ester.
Sources
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