(E,E)-2,4-Hexadien-1-ol CAS17102-64-6

Details:

Density 0.9± 0.1g /cm3
Boiling point 179.4±0.0 °C at 760 mmHg
Melting point 28-33ºC
Molecular formula C6H10O
Molecular weight 98.143
Flash point 72.2±0.0 °C
Accurate quality 98.073166
PSA 20.23000
LogP is 1.36
Appearance properties colorless liquid
Vapor density >1 (vs air)
Vapor pressure 0.3±0.7 mmHg at 25°C
Refractive index 1.473
Storage condition
Room temperature closed light, ventilated and dry

stability
Stable at normal temperature and pressure

Materials to avoid: oxide photoacid chloride anhydride

Molecular structure
1. Molar refractive index: 31.49

2, molar volume (m3/mol) : 112.3

3. Isocardiac volume (90.2K) : 262.0

4. Surface tension (3.0 dyne/cm) : 29.6

5. Polarizability (0.5 10-24cm 3) : 12.48

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :1.1

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :1

4. Number of rotatable bonds :2

5. Number of tautomers: None

6. Topological molecular polar surface area 20.2

7. Number of heavy atoms :7

8. Surface charge :0

9. Complexity :72.2

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 :2

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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