3-HydroxytetrahydrofuranCAS86087-24-3

Details:

Physicochemical properties of (R)-(-) -3-hydroxytetrahydrofuran

The density was 1.1± 0.1g /cm3

The boiling point was 181.0±8.0 °C at 760 mmHg

The molecular formula is C4H8O2

The molecular weight was 88.105

The flash point was 81.1±0.0 °C

The exact mass was 88.052429

The PSA was 29.46000

LogP = -0.83

Appearance characteristics Clear liquid

The vapor pressure was 0.3±0.7 mmHg at 25°C

The refractive index was 1.476

Storage conditions

Airtight, cool, dry place

 

stability

According to the provisions of use and storage will not decompose, avoid oxides, acyl chloride, acid anhydride, heat, open flame

 

Computational chemistry

1. Reference value of hydrophobic parameters (XlogP) :-0.4

 

2. Number of hydrogen bond donors :1

 

3. Number of hydrogen bond acceptors :2

 

4. Number of rotatable chemical bonds :0

 

5. Number of tautomers: None

 

6. Polar surface area of topological molecules 29.5

 

7. Number of heavy atoms :6

 

8. Surface charge :0

 

9. Complexity :44.8

 

10. Number of isotope atoms :0

 

11. Determine the number of atomic structuring centers :1

 

12. The number of uncertain atomic construction centers :0

 

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

 

14. The number of uncertain chemical bond formation centers :0

 

15. Number of covalent bond units :1

 

More

1. Character: Liquid

 

2. Density (g/mL25 ºC) : 1.097

 

3. Relative vapor density (g/mL, air =1) : Not determined

 

4. Melting point (ºC) : not determined

 

5. Boiling point (ºC, atmospheric pressure) : 181

 

6. Boiling point (ºC0.35mmHg) : not determined

 

7. Refractive index: n20/D 1.45

 

8. Flash point (ºC) : 82

 

9. Specific rotation (º) : -18.5 º (c=2 in ethanol)

 

10. Spontaneous ignition point or ignition temperature (ºC) : not determined

 

11. Vapor pressure (kPa,) : not determined

 

12. Saturated vapor pressure (kPa,60ºC) : not determined

 

13. Heat of combustion (KJ/mol) : not determined

 

14. Critical temperature (ºC) : not determined

 

15. Critical pressure (KPa) : not determined

 

16. Log value of oil-water (n-octanol/water) partition coefficient: not determined

 

17. Upper limit of explosion (%,V/V) : not determined

 

18. Lower explosion limit (%,V/V) : not determined

 

19. Solubility: not determined