1,3,5-triisopropylbenzene

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:717-74-8

MDL number:MFCD00008890

EINECS number:211-941-3

RTECS number:None

BRN number:1862750

PubChem number:24849901

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25/4℃): 0.8499

3. Relative density (20℃, 4℃): 0.85453

4 . Melting point (ºC): -7.4

5. Boiling point (ºC, normal pressure): 238

6. Refractive index at room temperature (n²⁰): 1.4883

7. Refractive index: 1.4880

8. Flash point (ºC): 86

9. Refractive index at room temperature (n²⁵

sup>): 1.4862

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 Determined

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

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Toxicological data

None

Ecological data

Slightly hazardous to water. Do not allow undiluted or large quantities of product to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission

Molecular structure data

1. Molar refractive index: 68.80

2. Molar volume (cm³/mol): 239.6

3. Isotonic specific volume (90.2K ): 552.4

4. Surface tension (dyne/cm): 28.2

5. Dielectric constant: 2.29

6. Dipole moment (10^-24cm³):

7. Polarizability: 27.27

Compute chemical data

1. Hydrophobic parameter calculation parameters� value (XlogP): 5.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Rotable Number of chemical bonds: 3

5. Number of tautomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 133

10. Number of isotope atoms: 0

11. Determine Number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14 .The number of uncertain chemical bond stereocenters: 0

15. The number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure, avoid contact with oxides

Storage method

Keep the container sealed, put it in a tight container, and store it in a cool, dry place

Synthesis method

None

Purpose

Organic synthesis.

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