Stability

Stable at room temperature and pressure

Materials to avoid: Oxides

Water solubility immiscible

Molecular structure

1. Molar refractive index: 27.16

2. Molar volume (cm3/mol): 109.8

3. Isometric volume (90.2K): 251.8

4. Surface tension (dyne/cm): 27.6

5. Polarization rate (10-24cm3): 10.76

Computational chemistry

1. Reference value for hydrophobic parameter calculation (XlogP): 1.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 2

4. Number of rotatable chemical bond: 2

5. Number of tautomers: None

6. Topological molecule polarity surface area 26.3

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 72.1

10. Number of Isotope Atoms: 0

11. Determine the number of atomic structure centers: 0

12. Number of uncertain atomic structure centers: 1

13. Determine the number of chemical bond stereo centers: 0

14. Number of uncertain chemical bond stereostructural centers: 0

15. Number of covalent bond units: 1

more

1. Character: Uncertain

2. Density (g/mL, 25/4 ℃): 1.075 (lit.)

3. Relative vapor density (g/mL, air=1): 4.22

4. Melting point (º C): -10

5. Boiling point (º C, atmospheric pressure): 132.5 (lit.)

6. Relative density (20 ℃, 4 ℃): 1.1209

7. Refractive index: n 20/D 1.4182 (lit.)

8. Flash point (º F): 101

9. specific rotation (º): uncertain

10. Autoignition point or ignition temperature (º C): uncertain

11. Vapor pressure (mmHg, 20 º C): 5.25

12. Saturated vapor pressure (kPa, 60 º C): uncertain

13. Heat of combustion (KJ/mol): uncertain

14. Critical temperature (º C): uncertain

15. Critical pressure (KPa): uncertain

16. logarithmic value of oil-water (octanol/water) distribution coefficient: uncertainty

17. Upper explosion limit (%, V/V): uncertain

18. Lower explosive limit (%, V/V): uncertain

19. Solubility: insoluble in water