3-methylheptane
Structural formula
| Business number | 060F |
|---|---|
| Molecular formula | C8H18 |
| Molecular weight | 114.23 |
| label |
2-Ethylhexene |
Numbering system
CAS number:589-81-1
MDL number:MFCD00027244
EINECS number:209-660-6
RTECS number:None
BRN number:1730777
PubChem number:24885097
Physical property data
1. Physical property data
1. Melting point (ºC): -121
2. Boiling point (ºC, normal pressure): 119°C0.1 mm Hg (lit. )
3. Flash point (ºC): 7
4. Refractive index(n25D) ：1.3961
5. Density: 0.710 g/mL at 25 °C( lit.
6. Critical temperature (K): 290.45
7. Critical pressure (MPa): 2.55
8. Critical density (g·cm-3): 0.246
9. Critical volume (cm3·mol-1): 464
10. Critical compression factor: 0.253
11. Eccentricity factor: 0.372
12. Solubility parameter (J·cm-3)0.5: 15.314
13. van der Waals area (cm2·mol-1): 1.233×1010
14. van der Waals volume (cm3·mol-1): 88.710
15. Gas phase standard combustion heat (enthalpy) (kJ·mol-1): -5508.03
16. Gas phase standard claimed heat (enthalpy) (kJ·mol– 1): -212.51
17. Gas phase standard entropy (J·mol-1·K-1): 465.6 p>
18. Gas phase standard free energy of formation (kJ·mol-1): 13.0
19. Gas phase standard hot melt (J·mol-1 ·K-1): 185.81
20. Liquid phase standard combustion heat (enthalpy) (kJ·mol-1): -5468.20
21. Liquid phase standard claimed heat (enthalpy) (kJ·mol-1): -252.34
22. Liquid phase standard entropy ( J·mol-1·K-1): 362.63
23. Liquid phase standard free energy of formation (kJ·mol-1 ): 3.60
24. Liquid phase standard hot melt (J·mol-1·K-1): 250.20 p>
25. Soluble in organic solvents such as ethanol, ether, and chloroform.
Toxicological data
None yet
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment and should be treated with water bodies.�Don’t pay attention.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 39.07
2. Molar volume (cm3/mol): 160.9
3. Isotonic volume (90.2K): 347.8
4. Surface tension (dyne/cm): 21.8
5. Dielectric constant (F/m ): 1.94
6. Polarizability (10-24cm3): 15.48
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 39.3
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
Stability and Reactivity:
Materials to avoid: Oxides.
Products to be decomposed: carbon monoxide and carbon dioxide.
Exists in smoke.
Storage method
Storage:
Seal the container and store it in a sealed main container in a cool, dry place.
Synthesis method
None yet
Purpose
None yet
