1-Octadecene 1-Octadecene

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:112-88-9

MDL number:MFCD00009003

EINECS number:204-012-9

RTECS number:None

BRN number:1761067

PubChem number:24886718

Physical property data

1. Properties: colorless liquid

2. Density (g/mL, 20℃): 0.79

3. Relative vapor density (g/mL, air=1 ): 0.71

4. Melting point (ºC): 17.5

5. Boiling point (ºC, normal pressure): 179 (2kpa)

6. Liquid phase Standard hot melt (J·mol^-1·K^-1): 577.7

7. Refractive index _(n ²⁰_D): 1.4448

8. Flash point (ºC): 148

9. Specific rotation (º) : Undetermined

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

11. Vapor pressure (mmHg,ºC): Undetermined

12. Saturated vapor pressure (kPa, 179ºC): 2.0

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

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15. Critical pressure (KPa): Undetermined

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

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

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

19. Solubility: Insoluble in water, soluble in heat acetone.

Toxicological data

None

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water pollution.

Molecular structure data

1. Molar refractive index: 85.16

2. Molar volume (cm³/mol): 320.7

3. Isotonic specific volume (90.2K ): 737.2

4. Surface tension (dyne/cm): 27.9

5. Polarizability (10^-24cm³): 33.76

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 15

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 148

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. Avoid contact with oxides.

2. Exist in smoke.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Obtained from dehydration of stearyl alcohol. After mixing stearyl alcohol and acetic anhydride (molar ratio of 1:1.5), add it dropwise from a constant pressure funnel into a quartz tube filled with quartz sand. The temperature is 610±10°C, and the residence time in the column is 2 minutes. The pyrolysis product is two layers of liquid of nearly equal volume. The lower layer is mainly acetic acid and acetic anhydride. Discard it. The upper liquid is refluxed with 1N potassium hydroxide ethanol solution at 100°C for 1 hour, and then poured into excess warm water. Take the non-water-soluble liquid. The substance is dissolved in n-hexane, cooled at 0°C, unreacted stearyl alcohol precipitates out, separated by filtration, and the filtrate is distilled under reduced pressure. First, n-hexane is distilled off at room temperature, then the temperature is raised to evaporate the previous fraction, and then collected The 195℃ (4.39kPa) fraction is octadecene.

Purpose

This product is a gas chromatography comparison sample and is used in organic synthesis to produce surfactants, spices, chemicals, dyes and polymers.