1-Undecyne CAS2243-98-3

Details:

Density 0.8± 0.1g /cm3
Boiling point 194.9±3.0 °C at 760 mmHg
Melting point -25°C
Molecular formula C11H20
Molecular weight 152.277
Flash point 65.2±1.4 °C
Accurate mass 152.156494
LogP 5.25
Appearance character liquid; Colorless to Almost colorless clear liquid
Vapor pressure 0.6±0.2 mmHg at 25°C
Refractive index 1.437
Storage condition
Storage:

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

stability
Stability and reactivity:

Materials to avoid: oxides.

Products to be broken down: carbon monoxide and carbon dioxide.

Molecular structure
1. Molar refractive index: 50.83

2, molar volume (cm3/mol) : 193.8

3. Isotropic volume (90.2K) : 448.7

4. Surface tension (dyne/cm) : 28.7

5. Dielectric constant (F/m) : 2.31

6. Polarization (10-24cm3) : 20.15

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :5.1

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :0

4. Number of rotatable bonds :7

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 :105

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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