isopropylcyclohexane
structural formula
| business number | 07av |
|---|---|
| molecular formula | c9h18 |
| molecular weight | 126.24 |
| label |
isopropylcyclohexane, 2-cyclohexylpropane, hexahydrocumene, hexahydroanisin, 2-cyclohexylpropane, hexahydrocumene, c6h11ch(ch3)2, alicyclic compounds |
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
