DIPIVALOYL-L-TARTARIC ACID CAS76769-55-6

Details:

Physicochemical properties of (+) -ditervaleryl-D-tartaric acid

The density was 1.2± 0.1g /cm3

The boiling point was 436.6±45.0 °C at 760 mmHg

Melting point 127-130 °C(lit.)

Its molecular formula is C14H22O8

Its molecular weight was 318.320

The flash point was 153.8±22.2 °C

The exact mass is 318.131470

PSA 127.20000

LogP 3.74

Appearance solid; White to Almost white powder to crystal

The vapor pressure was 0.0±2.2 mmHg at 25°C

The refractive index was 1.484

Storage conditions

Store in an airtight container in a cool, dry place.

 

stability

It is stable under normal conditions and away from oxidants.

 

Molecular structure

1. Molar refractive index: 73.43

 

2, molar volume (m3/mol) : 256.6

 

3, isotonic specific volume (90.2K) : 667.1

 

4. Surface tension (dyne/cm) : 45.6

 

5. Polarizability (10-24cm 3) : 29.11

 

Computational chemistry

1. Reference value of hydrophobic parameter calculation (XlogP) :2.1

 

2. Number of hydrogen bond donors :2

 

3. Number of hydrogen bond acceptors :8

 

4. Number of rotatable chemical bonds :9

 

5. Number of tautomers: None

 

6. Topological molecule polar surface area 127

 

7. Number of heavy atoms :22

 

8. Surface charge :0

 

9. Complexity :422

 

10. Number of isotope atoms :0

 

11. Determine the number of atomic construction centers :2

 

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. Properties: white powder.

 

2. Density (g/mL,25/4℃) : not determined

 

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

 

4. Melting point (ºC) : 127-130

 

5. Boiling point (ºC, normal pressure) : not determined

 

6. Boiling point (ºC,5.2kPa) : not determined

 

7. Refractive index: not determined

 

8. Flash point (ºC) : Not determined

 

9. Specific rotation (º) : 20/D +23.5±1°, c =1.7% in dioxane

 

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

 

11. Vapor pressure (kPa,25ºC) : 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 (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.