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