4-methylheptane

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: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.

Resource:allhdi.com