2,3-Dimethylbutane 2,3-Dimethylbutane

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:79-29-8

MDL number:MFCD00008925

EINECS number:201-193-6

RTECS number:EJ9350000

BRN number:1730737

PubChem number:24864705

Physical property data

1. Properties: colorless, transparent and volatile liquid

2. Density (g/mL, 25/4℃): 0.65

3. Relative vapor density (g/ mL, air = 1): 3.0

4. Melting point (ºC): -128.4

5. Boiling point (ºC, normal pressure): 58.0

6 .Refractive index (n²⁰_D) : 1.375

7. Flash point (ºC): below -29

8 .Vapor pressure (kPa, 25ºC): 31.28

9. Vapor pressure (kPa, 0ºC): 10.24

10. Explosion limit (%, V/V): 7.0

p>

11. Lower explosion limit (%, V/V): 1.2

12. Solubility: insoluble in water, soluble in alcohol, ether, chloroform, miscible in benzene and acetone.

13. Ignition point (ºC): 420

14. Heat of evaporation (kJ/mol): 27.294

15. Heat of fusion (kJ/mol): 0.812

16. Aniline point (ºC): 71.9

17. Heat of formation (25 ºC, liquid) / (kJ·mol): -207.16

18. Specific heat capacity (27ºC, constant pressure)/[kJ/(kg·K)]: 2.00

19. Critical temperature (K): 226.85

20. Critical pressure (MPa ): 3.15

21. Critical density (g·cm^-3): 0.239

22. Critical volume (cm³·mol^-1): 361

23. Critical compression factor: 0.279

24. Eccentricity factor: 0.248

25 .Lennard-Jones parameter (A): 9.085

26. Lennard-Jones parameter (K): 232.9

27. Solubility parameter (J·cm^-3)^0.5: 14.353

28. van der Waals area (cm²·mol^-1): 9.620×10⁹

29. van der Waals volume (cm³·mol^-1): 68.240 p>

30. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -4183.58

31. Gas phase standard claimed heat (enthalpy) (kJ· mol^-1): -178.28

32. Gas phase standard entropy (J·mol^-1·K^-1 ): 365.93

33. Gas phase standard formation free energy (kJ·mol^-1): -4.4

34. Gas phase standard hot melt (J· mol^-1·K^-1): 139.41

35. Liquid phase standard combustion heat (enthalpy) (kJ·mol^-1 ): -4154.46

36. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -207.40

37 .Liquid phase standard entropy (J·mol^-1·K^-1): 278.85

38. Liquid phase standard free energy of formation (kJ· mol^-1): -7.76

39. Liquid phase standard hot melt (J·mol^-1·K^-1)：189.04

Toxicological data

Other multiple dose toxicity data: Rat caliber TCLO: 10mg/kg/4W-I

Ecological data

Slightly harmful to water bodies.

Molecular structure data

1. Mount�Refractive index: 29.76

2. Molar volume (cm³/mol): 128.3

3. Isotonic specific volume (90.2K): 265.6

4. Surface tension (dyne/cm): 18.3

5. Dielectric constant (F/m): 1.88

6. Polarizability (10^-24cm³): 11.79

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: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 21

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. The chemical properties are relatively stable, and halogenation reaction occurs under the action of sunlight or ultraviolet light to generate halogen derivatives. During the nitration reaction, nitro compounds are produced. Reacts strongly with oxidants and may cause combustion and explosion when exposed to open flames or high heat.

2. Exist in smoke.

Storage method

This product should be kept sealed and dry.

Synthesis method

It is produced by the reaction of ethylene and isobutane. Purification method: Unsaturated compounds are removed by washing with concentrated sulfuric acid. Moisture can be removed with calcium chloride, phosphorus pentoxide, metallic sodium or solid desiccant.

Purpose

As an additive to aviation gasoline and motor gasoline, it is also used in organic synthesis and as a gas chromatography comparison sample.