4-Vinyl-1-cyclohexene 4-Vinyl-1-cyclohexene

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:100-40-3

MDL number:MFCD00001576

EINECS number:202-848-9

RTECS number:GW6650000

BRN number:1901553

PubChem number:24889964

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 20℃): 0.83

3. Relative vapor density (g/mL, air=1): 3.76

4. Melting point (ºC): -108.9

5. Boiling point (ºC, normal pressure): 128.5

6. Relative density (20℃, 4℃): 0.8296

7. Refractive index: 1.4639

8. Flash point (ºC): 16

9. Gas phase standard heat of combustion (enthalpy) (kJ·mol^{– 1}): -4928.1

10. The gas phase standard claims heat (enthalpy) (kJ·mol^-1): 65.1

11. Vapor pressure (mmHg, 25ºC): 10.2

12. Saturated vapor pressure (kPa, 38ºC): 3.44

13. Liquid phase standard combustion heat (enthalpy) (kJ·mol^-1): -4889.8

14. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): 26.8

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in most organic solvents.

Toxicological data

1. Acute toxicity: Rat oral LD5O: 2563mg/kg

Rabbit transdermal LD5O: 16640mg/kg

                                                                                                                                                                                                          Mouse inhalation LC50: 27000mg/m3, 1 hour

Ecological data

This substance is harmful to the environment, and special attention should be paid to atmospheric pollution.

Molecular structure data

1. Molar refractive index: 38.05

2. Molar volume (cm³/mol): 120.6

3. Isotonic specific volume (90.2K ): 286.3

4. Surface tension (dyne/cm): 31.7

5. Dielectric constant: 2.44

6. Dipole moment (10^-24cm³):

7. Polarizability: 15.08

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 101

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

Avoid contact with strong oxidants and acids.

Storage method

Usually products contain polymerization inhibitors. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. They should be stored separately from oxidants and acids, and avoid mixed storage. It should not be stored in large quantities or for long periods of time. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None yet

Purpose

Used in polymer manufacturing and organic synthesis.