1,3,5-triethylbenzene 1,3,5-triethylbenzene
structural formula
| business number | 02lu |
|---|---|
| molecular formula | c12h18 |
| molecular weight | 162.27 |
| label |
1,3,5-triethylbenzene |
numbering system
cas number:102-25-0
mdl number:mfcd00009261
einecs number:203-017-3
rtecs number:none
brn number:2039481
pubchem number:24889359
physical property data
1. properties: colorless liquid.
2. density (g/ml, 25℃): 0.862
3. liquid phase standard hot melt (j·mol-1·k-1): 286.4
4. melting point (ºc): -66
5. boiling point (ºc, normal pressure): 215
6. boiling point (ºc, kpa): undetermined
7. refractive index: 1.495
8. solubility parameter (j·cm-3)0.5: 17.408
9. van der waals area (cm2·mol-1): 1.483× 1010
10. van der waals volume (cm3·mol-1): 104.460
11. vapor pressure (mmhg, 25ºc): undetermined
12. saturation vapor pressure (kpa, ºc): undetermined
13. heat of combustion (kj/mol ): undetermined
14. critical temperature (k): 3405.85
15. critical density (g·cm-3): 0.26
16. critical volume (cm3·mol-1): 624
17. explosion upper 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
1. molar refractive index: 54.90
2. molar volume (cm3/mol): 187.8
3. isotonic specific volume (90.2k ): 437.0
4. surface tension (dyne/cm): 29.2
5. dielectric constant: 2.34
6. dipole moment (10-24cm3):
7. polarizability: 21.76
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 4.3
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 0
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 0
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 81.4
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 andstability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
