4-methylheptane
Structural formula
| Business number | 0606 |
|---|---|
| Molecular formula | C8H18 |
| Molecular weight | 114.23 |
| label |
(CH3CH2CH2)2CHCH3 |
Numbering system
CAS number:589-53-7
MDL number:MFCD00009409
EINECS number:209-650-1
RTECS number:None
BRN number:1696874
PubChem number:24885098
Physical property data
1. Physical property data
1. Melting point (ºC): -121
2. Boiling point (ºC, normal pressure): 117-118 °C0.1 mm Hg( lit.)
3. Density: 0.705g/mL at 25 °C(lit.
4. Refractive index: n20/D 1.398( lit.)
5. Flash point (ºC): 44°F
6. Critical temperature (K): 288.55
7. Critical pressure (MPa ): 2.54
8. Critical density (g·cm-3): 0.241
9. Critical volume (cm3·mol-1): 476
10. Critical compression factor: 0.259
11. Eccentricity factor: 0.371
13 . Solubility parameter (J·cm-3)0.5: 15.376
14. van der Waals area (cm2·mol-1): 1.233×1010
15. van der Waals volume (cm3·mol -1): 88.700
16. Gas phase standard combustion heat (enthalpy) (kJ·mol-1): -5508.61
17. Gas phase standard claimed heat (enthalpy) (kJ·mol-1): -211.92
18. Gas phase standard entropy (J·mol-1·K-1): 457.52
19. Gas phase standard free energy of formation (kJ·mol-1): 16.0
20. Gas phase standard hot melt (J·mol-1·K-1): 187.02
21. Liquid phase standard combustion Heat (enthalpy) (kJ·mol-1): -5468.91
22. The liquid phase standard claims heat (enthalpy) (kJ·mol-1): -251.63
23. Liquid phase standard hot melt (J·mol-1·K-1): 251.08
Toxicological data
None yet
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
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
Computational ChemistryData
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: 33.3
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
Stability and reactivity:
Incompatible materials: oxidizing agents.
Storage method
Storage:
Seal the container and store it in a sealed main container in a cool, dry place.
Synthesis method
2. Production method: None.
Purpose
3. Purpose: None.