di-t-butyl disulfide di-t-butyl disulfide

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:110-06-5

mdl number:mfcd00008838

einecs number:203-734-1

rtecs number:none

brn number:1698170

pubchem number:24854874

physical property data

1. characteristics: liquid

2. density（g/ml,20℃）：0.923

3. relative vapor density (g/ml,air =1): 5

4. melting point (ºc): -5

5. boiling point (ºc,normal pressure): 200-201

6. boiling point (ºc, kpa): not determined

7. refractive index: 1.490

8. flashpoint (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg, 37.7ºc): 51.7

12. saturated vapor pressure (kpa,ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of the partition coefficient for water: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: undetermined

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 55.03

2. molar volume (m³/mol）：188.6

3. isotonic specific volume (90.2k):441.9

4. surface tension (dyne/cm):30.1

5. polarizability（10^-24cm³):21.81

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.9

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 50.6

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 80.8

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

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5. polarizability（10^-24cm³):21.81

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.9

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 50.6

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 80.8

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet