- InChI
- InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
- InChI Key
- JKUYRAMKJLMYLO-UHFFFAOYSA-N
- Formula
- C8H14O3
- SMILES
- CC(=O)CC(=O)OC(C)(C)C
- Molecular Weight1
- 158.19
- CAS
- 1694-31-1
- Other Names
-
- Acetoacetic acid, tert-butyl ester
- tert-Butyl Acetoacetate
- tert-Butyl 3-Oxobutyrate
- t-Butyl acetoacetate
- ter'-Butylacetoacetate
- 3,3-dimethylbutyryl chloride
- 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° | -343.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.01 | kJ/mol | Joback Calculated Property |
| log10WS | -1.43 | Crippen Calculated Property | |
| logPoct/wat | 1.307 | Crippen Calculated Property | |
| McVol | 132.590 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Tboil | 457.00 | K | NIST |
| Tc | 705.37 | K | Joback Calculated Property |
| Tfus | 304.43 | K | Joback Calculated Property |
| Vc | 0.502 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.98; 367.64] | J/mol×K | [509.37; 705.37] | 
|
| Cp,gas | 301.98 | J/mol×K | 509.37 | Joback Calculated Property |
| Cp,gas | 314.46 | J/mol×K | 542.04 | Joback Calculated Property |
| Cp,gas | 326.31 | J/mol×K | 574.70 | Joback Calculated Property |
| Cp,gas | 337.53 | J/mol×K | 607.37 | Joback Calculated Property |
| Cp,gas | 348.15 | J/mol×K | 640.04 | Joback Calculated Property |
| Cp,gas | 358.18 | J/mol×K | 672.71 | Joback Calculated Property |
| Cp,gas | 367.64 | J/mol×K | 705.37 | Joback Calculated Property |
| η | [0.0002678; 0.0033814] | Pa×s | [304.43; 509.37] |
|
| η | 0.0033814 | Pa×s | 304.43 | Joback Calculated Property |
| η | 0.0017905 | Pa×s | 338.59 | Joback Calculated Property |
| η | 0.0010652 | Pa×s | 372.74 | Joback Calculated Property |
| η | 0.0006915 | Pa×s | 406.90 | Joback Calculated Property |
| η | 0.0004799 | Pa×s | 441.06 | Joback Calculated Property |
| η | 0.0003511 | Pa×s | 475.21 | Joback Calculated Property |
| η | 0.0002678 | Pa×s | 509.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-oxo-, 1,1-dimethylethyl ester.
Sources
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