4-methyl-1-pentene

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:691-37-2

MDL number:MFCD00008949

EINECS number:211-720-1

RTECS number:None

BRN number:1731096

PubChem number:24885832

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25/4℃): 0.665

3. Solubility parameter (J·cm^-3)^0.5：14.478

4. Melting point (ºC): -155

5. Boiling point (ºC, normal pressure): 53-54

6. van der Waals area (cm²·mol^-1): 9.100×10⁹

7. Refractive index (n²⁰_{D) : 1.3828}

8. Flash point (ºC): -7

9. van der Waals volume (cm³·mol^-1): 64.760

10. Autoignition point or ignition temperature (ºC): 300

11. Liquid phase standard hot melt (J·mol^-1·K ^-1): 184

12. Critical temperature (K): 221.85

13. Critical pressure (MPa): 3.29

14. Critical density (g·cm^-3): 0.238

15. Critical volume (cm³·mol^-1): 354

16. Critical compression factor: 0.283

17. Eccentricity factor: 0.23918. Lower explosion limit (%, V/V): 1.2

18. Solubility: Not soluble in water.

19. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -4024.80

20. Gas phase standard claimed heat (enthalpy) ( kJ·mol^-1): -51.25

21. Gas phase standard entropy (J·mol^-1·K^-1): 367.73

22. Gas phase standard free energy of formation (kJ·mol^-1): 82.96

23. Gas phase standard hot melt (J ·mol^-1·K^-1): 126.48

24. Liquid phase standard heat of combustion (enthalpy) (kJ·mol^{– 1}): -3996.01

25. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -80.04

Toxicological data

None yet

Ecological data

Do not allow undiluted or large quantities of products that are slightly hazardous to water 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: 29.53

2. Molar volume (cm³/mol): 123.0

3. Isotonic specific volume (90.2K ): 257.2

4. Surface tension (dyne/cm): 19.1

5. Dielectric constant: 2.05

6. Dipole moment (10^-24cm³):

7. Polarizability: 11.70

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 35.3

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 and stability

1. Keep away from oxides and acids.

2. Exist in smoke.

Storage method

Store in an airtight container in a cool, dry place. Store away from oxidizing agents. Avoid contact with air or oxidizing agents. Never store with acids.

Synthesis method

It is used as an intermediate in organic synthesis and is obtained by dimerization of propylene. Propylene reacts with metals to form organic potassium compounds, which act as catalysts in the dimerization reaction. The dimerization reaction is carried out under the conditions of 160°C and about 6MPa. The single-pass conversion rate of propylene is about 48%, and 4-methyl-1-pentene is obtained with a yield of about 78%.

Purpose

This product is a monomer of new synthetic material poly4-methyl-1-pentene. It can be used as an organic synthesis intermediate to produce methyl isobutyl ketone and 2-isobutyl-6-methylheptene. ene and isoprene, etc.