Structural formula
| Business number | 07F1 |
|---|---|
| Molecular formula | C14H22O2 |
| Molecular weight | 222.32 |
| label |
2-(1,1,3,3-Tetramethylbutyl)hydroquinone, 2-(1,1,3,3-Tetramethylbutyl)Hydroquinone, 2-(1,1,3,3-Tetramethylbutyl)-1,4-benzenediol, aromatic compounds |
Numbering system
CAS number:719-03-9
MDL number:None
EINECS number:211-945-5
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Character: Undetermined
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: undetermined
8. Flash point ( ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): 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 partition coefficient (water): undetermined
17. Explosion upper limit (%,V/V ): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 66.90
2. Molar volume（m3/ mol）：219.0
3. Isotonic specific volume（90.2K）：539.5
4. Surface Tension(dyne/cm)：36.8
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 26.52
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.6
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. MututationNumber of structures: 7
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 227
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain atomic stereocenters: 0
13. The number of determined chemical bond stereocenters: 0
14. The uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
