2,2,2-TRIFLUOROETHANOL-D3 CAS77253-67-9

Details:

Density 1.3± 0.1g /cm3
Boiling point 74.0±0.0 °C at 760 mmHg
Melting point -44ºC(lit.)
Molecular formula C2D3F3O
Molecular weight 103.058
Flash point 29.4±0.0 °C
Accurate quality 103.032433
PSA 20.23000
LogP 0.31
Appearance properties transparent colorless liquid
Vapor pressure 77.3±0.2 mmHg at 25°C
Refractive index of 1.282
Storage condition
Store in an airtight container in a cool, dry place. The storage area must be away from oxidizing agents.

stability
Stay away from the oxides.

Molecular structure
1. Molar refractive index: 13.30

2. Molar volume (m3/mol) : 75.4

3. Isotropic specific volume (90.2K) : 152.0

4. Surface tension (dyne/cm) : 16.5

5. Polarization (10-24cm 3) : 5.27

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :4

4. Number of rotatable bonds :0

5. Number of tautomers: None

6. Topological molecular polar surface area 20.2

7. Number of heavy atoms :6

8. Surface charge :0

9. Complexity :38.5

10. Number of isotope atoms :3

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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