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
