1,1,1-trifluoro-2-trifluoromethyl-4-penten-2-ol NEW

1. Molar refractive index: 31.98

2. Molar volume (m 3 /mol): 153.0

3. Isotonic specific volume (90.2K): 318.9

4. Surface tension (dyne/cm): 18.8

5. Polarizability (10 -24 cm 3 ): 12.68

1. Reference value for hydrophobic parameter calculation (XlogP): 2.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: None

6. Topological molecular polar surface area 20.2

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 176

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

1. Characteristics:.

2. Density (g/mL, 25/4℃):

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

4. Melting point (ºC):

5. Boiling point (ºC, normal pressure):

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index:

8. Flash point (ºC):

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC):

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined