Tetrahydromethyl-1,3-isobenzofurandione CAS11070-44-3

Details:

Density 1.2± 0.1g /cm3
The boiling point is 306.7±21.0 °C at 760 mmHg
Molecular formula C9H10O3
Molecular weight 166.174
Flash point 145.3±19.2 °C
Accurate mass 166.062988
PSA 43.37,000
LogP is 1.00
Appearance character liquid; Colorless to Light yellow clear liquid
Vapor pressure 0.0±0.6 mmHg at 25°C
Refractive index 1.528
Storage condition
Seal in a cool, dry place.

stability
If used and stored according to specifications, it will not decompose.

Water solubility: soluble; Water solubility: 176.4g /l 20 °C; Soluble in: ethanol, benzene, chloroform, acetone, toluene
Molecular structure
1. Molar refractive index: 41.02

2, molar volume (cm3/mol) : 132.7

3. Isotropic volume (90.2K) : 343.9

4. Surface tension (dyne/cm) : 45.0

5. Polarization (10-24cm3) : 16.26

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :1.4

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :3

4. Number of rotatable bonds :0

5. Number of tautomers: None

6. Topological molecular polar surface area 43.4

7. Number of heavy atoms :12

8. Surface charge :0

9. Complexity :290

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of uncertain atomic orthotropic centers :1

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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