- InChI
- InChI=1S/C7H12O3/c1-5(8)7(2,3)6(9)10-4/h1-4H3
- InChI Key
- LVSDLZIEHYYLTC-UHFFFAOYSA-N
- Formula
- C7H12O3
- SMILES
- COC(=O)C(C)(C)C(C)=O
- Molecular Weight1
- 144.17
- CAS
- 38923-57-8
- Other Names
-
- 2,2-Dimethyl-3-oxobutyric acid, methyl ester
- Acetoacetic acid, 2,2-dimethyl-, methyl ester
- methyl 2,2-dimethylacetoacetate
- 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° | -351.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -553.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.78 | 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 | 3220.98 | kPa | Joback Calculated Property |
| Tboil | 486.49 | K | Joback Calculated Property |
| Tc | 685.06 | K | Joback Calculated Property |
| Tfus | 293.16 | K | Joback Calculated Property |
| Vc | 0.447 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.04; 319.36] | J/mol×K | [486.49; 685.06] | 
|
| Cp,gas | 259.04 | J/mol×K | 486.49 | Joback Calculated Property |
| Cp,gas | 270.52 | J/mol×K | 519.59 | Joback Calculated Property |
| Cp,gas | 281.41 | J/mol×K | 552.68 | Joback Calculated Property |
| Cp,gas | 291.72 | J/mol×K | 585.78 | Joback Calculated Property |
| Cp,gas | 301.47 | J/mol×K | 618.87 | Joback Calculated Property |
| Cp,gas | 310.68 | J/mol×K | 651.97 | Joback Calculated Property |
| Cp,gas | 319.36 | J/mol×K | 685.06 | Joback Calculated Property |
| η | [0.0002929; 0.0034748] | Pa×s | [293.16; 486.49] |
|
| η | 0.0034748 | Pa×s | 293.16 | Joback Calculated Property |
| η | 0.0018762 | Pa×s | 325.38 | Joback Calculated Property |
| η | 0.0011320 | Pa×s | 357.60 | Joback Calculated Property |
| η | 0.0007425 | Pa×s | 389.83 | Joback Calculated Property |
| η | 0.0005194 | Pa×s | 422.05 | Joback Calculated Property |
| η | 0.0003822 | Pa×s | 454.27 | Joback Calculated Property |
| η | 0.0002929 | Pa×s | 486.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester.
Sources
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