dicyclohexane

structural formula

business number	024s
molecular formula	c12h22
molecular weight	166.30
label	dicyclohexyl, cyclohexylcyclohexane

• 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:92-51-3

mdl number:mfcd00003815

einecs number:202-161-4

rtecs number:none

brn number:1848266

pubchem id:none

physical property data

1. properties: colorless flowing liquid. has a pleasant smell. stable to oxidizing agents.

2. density (g/ml, 25/4℃): 0.880

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

4. melting point (ºc): 3~4

5. boiling point (ºc, normal pressure): 238.5

6. boiling point (ºc, 5.2kpa): undetermined

7. refractive index _(n²⁰_d): 1.479

8. flash point (ºc): 92

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

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/ log value of the distribution coefficient (water): undetermined

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

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

19. solubility: easily soluble in acetone, ether, ethanol and benzene, insoluble in water.

toxicological data

ecological data

none

molecular structure data

1. molar refractive index: 53.38

2. molar volume (cm³/mol): 186.5

3. isotonic specific volume (90.2k ): 446.6

4. surface tension (dyne/cm): 32.8

5. dielectric constant (f/m): 2.23

6. pole chemical rate (10^-24cm³): 21.16

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 5.7

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: 12

8. surface charge: 0

9. complexity: 100

10. number of isotope atoms: 0

11. determine the number of atomic stereocentersamount: 0

12. uncertain number of stereocenters of atoms: 0

13. determined number of stereocenters of chemical bonds: 0

14. uncertain chemical bonds number of stereocenters: 0

15. number of covalent bond units: 1

properties and stability

1. exist in flue-cured tobacco smoke.

storage method

this product should be kept sealed.

synthesis method

1. tobacco: fc, 18.

purpose

high boiling point solvent. penetrant.

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