isopropylcyclohexane

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:696-29-7

mdl number:mfcd00001480

einecs number:211-792-4

rtecs number:none

brn number:1900472

pubchem number:24895963

physical property data

1. properties: colorless and transparent liquid.

2. density (g/ml, 25/4℃): 0.802

3. solubility parameter (j·cm^-3)^0.5: 16.291

4. melting point (ºc): 0

5. boiling point (ºc, normal pressure): 155

6. van der waals area (cm²·mol^-1): 1.156×10¹⁰

7. refractive index: 1.441

8. flash point (ºc): 35

9. van der waals volume (cm³·mol^-1): 90.910

10. liquid phase standard hot melt (j·mol^-1·k^-1): 243.6

11. vapor pressure (kpa, 25ºc): undetermined

12. saturated vapor pressure (kpa, 60ºc): undetermined

13. heat of combustion (kj/mol) : undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol /water) logarithmic value of the distribution coefficient: undetermined

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

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

19. solubility: undetermined.

toxicological data

none yet

ecological data

generally not hazardous to water, do not discharge material into the surrounding environment without government permission.

molecular structure data

1. molar refractive index: 41.53

2. molar volume (cm³/mol): 158.5

3. isotonic specific volume (90.2k ): 356.8

4. surface tension (dyne/cm): 25.6

5. dielectric constant: 2.07

6. dipole moment (10^-24cm³):

7. polarizationrate: 16.46

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: 1

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 68.1

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

stable under normal temperature and pressure, away from oxides.

storage method

store in an airtight container in a cool, dry place. store away from oxidizing agents.

synthesis method

none yet

purpose

used in organic synthesis

resource:allhdi.com