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
