di-t-butyl disulfide di-t-butyl disulfide
structural formula
| business number | 030j |
|---|---|
| molecular formula | c8h18s2 |
| molecular weight | 178.36 |
| label |
tert-butyl disulfide, tert-butyl disulfide, tert-butyl disulfide, bis(1,1-dimethylethyl) disulfide, t-butyldisulfide, linear compound |
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