2-methyl-2-pentene
Structural formula
| Business number | 06RT |
|---|---|
| Molecular formula | C6H12 |
| Molecular weight | 84.16 |
| label |
None |
Numbering system
CAS number:625-27-4
MDL number:MFCD00009382
EINECS number:210-883-6
RTECS number:SB2240000
BRN number:1731107
PubChem number:24885812
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 25/4℃): 0.69
3. Relative vapor density (g/mL, air=1): 2.9
4. Melting point (ºC): -135
5. Boiling point (ºC, normal pressure): 66.9
6. Solubility parameter (J·cm-3 )0.5: 15.375
7. Refractive index (n20D) : 1.4004
8. Flash point (ºC): -23
9. van der Waals area (cm2·mol– 1): 9.400×109
10. van der Waals volume (cm3·mol-1): 64.720
11. Liquid phase standard hot melt (J·mol-1·K-1): 180
12. Saturated vapor pressure (kPa, 60ºC): 43.46
13. Liquid phase standard combustion heat (enthalpy) (kJ·mol-1): -3977.52
14. Liquid phase standard claimed heat (enthalpy) (kJ·mol-1): -98.53
15. Gas phase standard combustion heat (enthalpy) ( kJ·mol-1): -4009.19
16. The gas phase standard claims heat (enthalpy) (kJ·mol-1): -66.85
17. Gas phase standard entropy (J·mol-1·K-1): 378.44
18. Gas phase standard generation Free energy (kJ·mol-1): 64.15
19. Gas phase standard hot melt (J·mol-1·K– 1): 126.61
20. Solubility: Insoluble in water, soluble in ethanol and ether.
Toxicological data
1. Acute toxicity: Rat (inhalation) LC50: 114mg/m3
Mouse (inhalation) LC50: 130mg/m3
Since the LD50 of table salt is 3,000 mg/m3 kg, the acute toxicity level of BPA is the same as that of table salt.
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: 29.74
2. Molar volume (cm3/mol): 120.9
3. Isotonic specific volume (90.2K ): 254.2
4. Surface tension (dyne/cm): 19.5
5. Polarizability (10-24cm3）���2.49
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: 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: 47.1
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. 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 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.
Synthesis method
None
Purpose
None
