3-Decanone CAS928-80-3

Details:

Density 0.825 g/mL at 25 °C(lit.)
Boiling point 204-205 °C(lit.)
Melting point −4 −3 °C(lit.)
Molecular formula C10H20O
Molecular weight 156.26500
Flash point 143 °F
Accurate mass 156.15100
PSA 17.07000
LogP 3.32600
Refractive index n20/D 1.4240(lit.)
Storage condition
Keep the container sealed and store in a cool, dry place

stability
Stable under normal temperature and pressure, avoid contact with strong oxidant

Molecular structure
1. Molar refractive index: 48.40

2, molar volume (cm3/mol) : 190.7

3. Isotropic volume (90.2K) : 435.0

4. Surface tension (dyne/cm) : 27.0

5. Polarization (10-24cm3) : 19.19

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :1

4. Number of rotatable bonds :7

5. Number of tautomers :3

6. Topological molecular polar surface area 17.1

7. Number of heavy atoms :11

8. Surface charge :0

9. Complexity :97

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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