Isopropylmalonic acid CAS 601-79-6

Details:

Density 1.242 g/cm3
Boiling point 315.4ºC at 760 mmHg
Melting point 90 °C
Molecular formula C6H10O4
Molecular weight 146.14100
Flash point 158.7ºC
Accurate mass 146.05800
PSA 74.60000
LogP 0.42780
Storage condition
Storage:

Seal the container, store it in the sealed main container, and keep it in a cool, dry place.

stability
Properties and stability:

At normal temperature and pressure, or do not decompose products.

Molecular structure
V. Molecular Property Data:

1. Molar refractive index: 32.89

2, molar volume (m3/mol) : 117.5

3, equal volume (90.2K) : 309.2

4. Surface tension (dyne/cm) : 47.8

5. Polarization (10-24cm 3) : 13.03

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :0.9

2. Number of hydrogen bond donors :2

3. Number of hydrogen bond receptors :4

4. Number of rotatable bonds :3

5. Number of tautomers: None

6. Topological molecular polar surface area 74.6

7. Number of heavy atoms :10

8. Surface charge :0

9. Complexity :136

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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