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