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
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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
