2,3,4-Trimethylpentane

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:565-75-3

MDL number:MFCD00008924

EINECS number:209-292-6

RTECS number:SA3321500

BRN number:1696869

PubChem number:24855419

Physical property data

1. Properties: colorless liquid^[1]

2. Melting point (℃): -110^[2]

3. Boiling point (℃): 113~114^[3]

4. Relative density (water=1): 0.72^[4]

5. Relative vapor density (air=1): 3.9^[5]

6. Saturated vapor pressure (kPa): 6.75 (37.7℃ )^[6]

7. Critical pressure (MPa): 2.73^[7]

8. Octanol/water Distribution coefficient: 4.05^[8]

9. Flash point (℃): 0^[9]

10. Ignition temperature (℃): 427^[10]

11. Explosion limit (%): 6.0^[11]

12. Lower explosion limit (%): 1.0^[12]

13. Solubility: insoluble in water, soluble in ether, chloroform, and benzene. ^[13]

14. Critical density (g·cm^-3): 0.248

15. Critical volume (cm ³·mol^-1): 460

16. Critical compression factor: 0.267

17. Eccentricity factor: 0.316

18. Solubility parameter (J·cm^-3)^0.5: 14.934

19. van der Waals area (cm ²·mol^-1): 1.231×10¹⁰

20.van der Waals volume (cm ³·mol^-1): 88.690

Toxicological data

The vapor is toxic and irritating if inhaled.

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

4. Other harmful effects^[14] This substance is harmful to the environment and should be treated with special Be aware of contamination of surface water, soil, atmosphere and drinking water.

Molecular structure data

1. Molar refractive index: 38.98

2. Molar volume (cm³/mol): 161.7

3. Isotonic specific volume (90.2K ): 342.5

4. Surface tension (dyne/cm): 20.1

5. Polarizability (10^-24cm³): 15.45

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.7

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: 8

8. Surface charge: 0

9. Complexity: 45.1

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. Uncertain ChemistryNumber of bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability^[15] Stable

2. Incompatible substances^[16] Strong oxidants, strong acids, strong bases, halogens

3. Polymerization hazards^[17] No polymerization

Storage method

Storage Precautions^[18] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37°C and the container should be kept sealed. They should be stored separately from oxidants and food chemicals, and avoid mixed storage. 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

Purpose

Used as solvent and gas chromatography comparison sample. ^[19]