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