The name of 2-phenylacetoacetate
Chinese name 2-phenylacetoacetate ethyl ester
Its English name was ethyl 3-oxo-2-phenylbutanoate
More English nicknames
Physicochemical properties of ethyl 2-phenylacetoacetate
Density 1.1± 0.1g /cm3
Boiling point 290.3±15.0 °C at 760 mmHg
Molecular formula C12H14O3
Molecular weight 206.238
Flash point 123.9±20.4 °C
Precise quality 206.094299
PSA 43.37,000
LogP is 2.45
Vapor pressure 0.0±0.6 mmHg at 25°C
Refractive index of 1.506
Storage condition
Store in a cool, dry place away from light and sealed
stability
Stable at normal temperature and pressure
Molecular structure
Molecular property data:
1. Molar refractive index: 56.14
2. Molar volume (m3/mol) : 189.6
3. Isotropic specific volume (90.2K) : 471.4
4. Surface tension (dyne/cm) : 38.2
5. Polarization (10-24cm 3) : 22.25
Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) : 2.4
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond receptors: 3
4. Number of rotatable bonds: 5
5. Number of tautomers: 5
6. Topological molecular polar surface area (TPSA) : 43.4
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 229
10. Number of isotope atoms: 0
11. Determine the number of atomic constitutive centers: 0
12. Number of uncertain atomic constitutive centers: 1
13. Determine the number of chemical bond structure centers: 0
14. Number of uncertain chemical bond structure centers: 0
15. Number of covalent bond units: 1
more
1. Character: not determined
2. Density (g/mL,25/4℃) : 1.085
3. Relative vapor density (g/mL, air =1) : not determined
4. Melting point (ºC) : 140-144
5. Boiling point (ºC, atmospheric pressure) : 140-144
6. Boiling point (ºC,5.2kPa) : Not determined
7. Refractive index: 1.5130
8. Flash point (ºF) : 140-144
9. Specific rotation (º) : Not determined
10. Spontaneous ignition point or ignition temperature (ºC) : not determined
11. Vapor pressure (kPa,25ºC) : Not determined
12. Saturated vapor pressure (kPa,60ºC) : Not determined
13. Heat of combustion (KJ/mol) : not determined
14. Critical temperature (ºC) : Not determined
15. Critical pressure (KPa) : Not determined
16. Logarithmic value of oil-water (octanol/water) partition coefficient: not determined
17. Upper explosion limit (%,V/V) : Not determined
18. Lower explosive Limit (%,V/V) : Not determined
19. Solubility: not determined.
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