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Dibenzoylmethane chemistry 1,3-diphenylpropane-1,3-dione
1. Product advantages
♦ High purity, all above 98.5%, no impurities after dissolution
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Density 1.1± 0.1g /cm3
Boiling point 357.4±0.0 °C at 760 mmHg
Melting point 77-79 °C(lit.)
Molecular formula C15H12O2
Molecular weight 224.255
Flash point 146.9±20.2 °C
Accurate mass 224.083725
PSA 34.14000
LogP 3.04
Appearance properties light yellow - white powder
Vapor pressure 0.0±0.8 mmHg at 25°C
Refractive index 1.584
Storage condition
Seal in a cool, dry place. Ensure good ventilation in the workshop. Keep away from fire and store away from oxidants.
stability
Avoid contact with oxides.
Molecular structure
V. Molecular Property Data:
1. Molar refractive index: 65.87
2, molar volume (cm3/mol) : 196.8
3. Isotonic volume (90.2K) : 512.9
4. Surface tension (dyne/cm) : 46.0
5. Polarization (10-24cm3) : 26.11
Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :3.1
2. Number of hydrogen bond donors :0
3. Number of hydrogen bond receptors :2
4. Number of rotatable bonds :4
5. Number of tautomers :2
6. Topological molecular polar surface area 34.1
7. Number of heavy atoms :17
8. Surface charge :0
9. Complexity :243
10. Number of isotope atoms :0
11. Determine the number of primary constitutive centers :0
12. Number of indeterminate atomic orthotropic centers :0
13. Determine the number of chemical bond constitutive centers :0
14. Number of uncertain bond constitutive centers :0
15. Number of covalent bond units :1
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