3-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:589-81-1

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_(n²⁵_{d) ：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

resource:allhdi.com