alpha-2-Chloroisodurene CAS1585-16-6

Details:

Density 1.0± 0.1g /cm3
Boiling point 244.6±9.0 °C at 760 mmHg
Melting point 87-89 °C(lit.)
Molecular formula C10H13Cl
Molecular weight 168.663
Flash point 106.1±0.0 °C
Accurate mass 168.070572
LogP is 3.87
Appearance character grey white powder
Vapor pressure 0.0±0.5 mmHg at 25°C
Refractive index 1.521
Storage condition
Keep the container sealed and store in a cool, dry place

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

Molecular structure
1. Molar refractive index: 50.49

2. Molar volume (m3/mol) : 165.9

3. Isotropic specific volume (90.2K) : 395.4

4. Surface tension (dyne/cm) : 32.2

5. Dielectric constant (F/m) : unavailable

6. Polarization (10-24cm 3) : 20.01

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :3.4

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :0

4. Number of rotatable bonds :1

5. Number of tautomers: None

6. Topological molecular polar surface area is 0

7. Number of heavy atoms :11

8. Surface charge :0

9. Complexity :110

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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