2-BUTYNAL DIETHYL ACETAL CAS2806-97-5

Details:

Density 0.9g /mL at 25 °C(lit.)
Boiling point 65-67 °C12 mm Hg(lit.)
Molecular formula C8H14O2
Molecular weight 142.19600
Flash point 132 °F
Accurate mass 142.09900
The PSA is 18.46000
LogP 1.40880
Appearance properties transparent light yellow liquid
Vapor pressure 0.984mmHg at 25°C
Refractive index n20/D 1.426(lit.)
Storage condition
Keep in a cool and dry environment

stability
It will not decompose when used and stored according to regulations.

Molecular structure
1. Molar refractive index: 40.56

2, molar volume (m3/mol) : 156.9

3. Isotropic volume (90.2K) : 365.3

4. Surface tension (dyne/cm) : 29.3

5. Polarization (10-24cm3) : 16.08

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 :2

4. Number of rotatable bonds :4

5. Number of tautomers: None

6. Topological molecular polar surface area 18.5

7. Number of heavy atoms :10

8. Surface charge :0

9. Complexity :123

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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