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
