1,3,5-Triethylbenzene 1,3,5-Triethylbenzene

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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

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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

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Storage method

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Synthesis method

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Purpose

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