9,9-DIMETHYL-9H-XANTHENE CAS19814-75-6

Details:

Density 1.1± 0.1g /cm3
Boiling point 114-115 ºC
Melting point 35-38ºC
Molecular formula C15H14O
Molecular weight 210.271
Flash point 113 ºC
Precision mass 210.104462
PSA 9.23000
LogP is 4.96
Appearance character solid; White or Colorless to Yellow to Green powder to lump to clear liquid
Vapor pressure 0.0±0.6 mmHg at 25°C
Refractive index 1.576
Storage condition
Store in an airtight storage container in a cool, dry place

stability
If used and stored according to the rules, it will not decompose

Avoid contact with oxides
Insoluble in water.
Molecular structure
V. Molecular Property Data:

1. Molar refractive index: 64.72

2. Molar volume (m3/mol) : 195.5

3. Isographic volume (90.2K) : 494.4

4. Surface tension (dyne/cm) : 40.8

5. Polarization (10-24cm3) : 25.65

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :4.3

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :1

4. Number of rotatable bonds :0

5. Number of tautomers: None

6. Topological molecular polar surface area 9.2

7. Number of heavy atoms :16

8. Surface charge :0

9. Complexity :234

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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