4-Methoxy-1-butanol CAS111-32-0

Details:

Density 0.9± 0.1g /cm3
Boiling point 165.7±8.0 °C at 760 mmHg
Molecular formula C5H12O2
Molecular weight 104.148
Flash point 54.1±6.3 °C
Accurate quality 104.083733
PSA 29.46000
LogP minus 0.19
Vapor pressure 0.6±0.7 mmHg at 25°C
Refractive index 1.410
Storage condition
Seal in a cool, dry place. Ensure good ventilation and explosion proof facilities in the workshop. Keep away from fire and prevent static electricity. Store away from oxidizer, air.

stability
Avoid contact with oxides.

Molecular structure
1. Molar refractive index: 28.49

2, molar volume (cm3/mol) : 114.9

3. Isotropic volume (90.2K) : 267.4

4. Surface tension (dyne/cm) : 29.3

5. Polarization (10-24cm3) : 11.29

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :0.1

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :2

4. Number of rotatable bonds :4

5. Number of tautomers: None

6. Topological molecular polar surface area 29.5

7. Number of heavy atoms :7

8. Surface charge :0

9. Complexity :29.3

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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