2,4,4-trimethyl-2-pentene 2,4,4-trimethyl-2-pentene

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:107-40-4

mdl number:mfcd00008902

einecs number:203-488-5

rtecs number:none

brn number:1719492

pubchem number:24889687

physical property data

1. gas phase standard combustion heat (enthalpy) (kj·mol^-1): -5329.84

2. density (g/ml, 25℃): 0.72

3. relative vapor density (g/ml, air=1): >1

4. melting point (ºc): -106

5. boiling point ( ºc, normal pressure): 104

6. solubility parameter (j·cm^-3)^0.5: 14.980

7. refractive index (_d²⁰): 1.416

8. van der waals area (cm²·mol^-1): 1.229×10¹⁰

9. van der waals volume (cm³·mol^{– 1}): 85.160

10. the gas phase standard claims heat (enthalpy) (kj·mol^-1): -104.89

11. vapor pressure (mmhg, 37.7ºc): 83

12. liquid phase standard combustion heat (enthalpy) (kj·mol^-1): -5292.34

13. liquid phase standard claims heat (enthalpy) (kj·mol^-1): -142.38

14. liquid phase standard entropy (j·mol^-1 ·k^-1): 311.7

15. liquid phase standard free energy of formation (kj·mol^-1): 89.81

16. liquid phase standard hot melt (j·mol^-1·k^-1): 239.7

17. explosion upper limit (%, v/v): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: undetermined

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 38.97

2. molar volume (cm³/mol): 154.0

3. isotonic specific volume (90.2k ): 328.9

4. surface tension (dyne/cm): 20.7

5. polarizability (10-24cm3): 15.45

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.6

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 87.1

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain atomic stereocenternumber of stereocenters: 0

13. determined number of stereocenters of chemical bonds: 0

14. uncertain number of stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

used for preparing spices