5-tert-butyl-1,2,3-trimethylbenzene 5-tert-butyl-1,2,3-trimethylbenzene
structural formula
| business number | 02dm |
|---|---|
| molecular formula | c13h20 |
| molecular weight | 176.29 |
| label |
5-tert-butyl-1,2,3-trimethylbenzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl-benzen |
numbering system
cas number:98-23-7
mdl number:mfcd00043642
einecs number:202-648-1
rtecs number:none
brn number:2076153
pubchem id:none
physical property data
1. characteristics: undetermined
2. density (g/ml, 20℃): undetermined
3. relative vapor density (g/ml, air=1 ): undetermined
4. melting point (ºc): 31-33
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, 99.4kpa): not determined
7. refractive index: not determined
8. flash point (ºc): not determined
9. ratio optical rotation (º): not determined
10. autoignition point or ignition temperature (ºc): not determined
11. vapor pressure (mmhg, 40ºc): not determined
p>
12. saturated vapor pressure (kpa, 20ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc ): undetermined
15. critical pressure (kpa): undetermined
16. log value of oil-water (octanol/water) partition coefficient: undetermined
17. explosion upper limit (%, v/v): undetermined
18. explosion lower limit (%, v/v): undetermined
19. solubility: undetermined ok
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 59.11
2. molar volume (cm3/mol): 204.9
3. isotonic specific volume (90.2k ): 468.2
4. surface tension (dyne/cm): 27.2
5. dielectric constant: 2.37
6. dipole moment (10-24cm3):
7. polarizability: 23.43
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 0
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 0
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 151
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
storage method
none
synthesis method
none
purpose
none
