Ethyl 3-oxo-4-phenylbutanoate;ethyl 2-phenyl-3-oxobutanoate NEW

Avoid light, keep in a cool and dry place, sealed

Stable under normal temperature and pressure

Molecular property data:

1. Molar refractive index: 56.14

2. Molar volume (m 3 /mol) : 189.6

3. Isotonic specific volume (90.2K): 471.4

4. Surface tension (dyne/cm): 38.2

5. Polarizability (10 -24 cm 3 ): 22.25

1. Hydrophobic parameter calculation reference value (XlogP): 2.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical 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 stereocenters: 0

12. Number of stereocenters uncertain: 1

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

1. Characters: Undetermined

2. Density (g/mL, 25/4°C): 1.085

3. Relative vapor density (g/mL, air=1): not determined

4. Melting point (°C): 140-144

5. Boiling point (ºC, normal pressure): 140-144

6. Boiling point (ºC, 5.2kPa): not determined

7. Refractive index: 1.5130

8. Flash point (°F): 140-144

9. Specific rotation (º): not determined

10. Autoignition 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): Undetermined

16. The logarithm of the oil-water (octanol/water) partition coefficient: not determined

17. Explosive upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): not determined

19. Solubility: Not determined.