Structural formula
| Business number | 07AG |
|---|---|
| Molecular formula | C8H14 |
| Molecular weight | 110.20 |
| label |
cyclohexylethylene, Cyclohexylethylene, C6H11CH=CH2, Alicyclic compounds |
Numbering system
CAS number:695-12-5
MDL number:MFCD00001514
EINECS number:211-779-3
RTECS number:GV7800000
BRN number:1304663
PubChem number:24889963
Physical property data
1. Properties: colorless or yellow liquid.
2. Density (g/mL, 25/4℃): 0.805
3. Gas phase standard combustion heat (enthalpy) (kJ·mol-1): -5099.96
4. Gas phase standard claims heat (enthalpy) (kJ·mol-1): -48.91
5. Boiling point (ºC , normal pressure): 128
6. Liquid phase standard combustion heat (enthalpy) (kJ·mol-1): -5060.21
7. Refraction Rate: 1.446
8. Flash point (ºC): 22
9. Liquid phase standard claims heat (enthalpy) (kJ·mol-1) : -88.66
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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion Upper limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Not soluble in water.
Toxicological data
1. Acute toxicity: Rat (oral) LDLO: 4 mg/kg; Rat (inhalation) LC50: 20,500 mg/m3/2H Mouse (oral) LDLo: 4 mg/kg Mouse (inhalation) LC50: 27 mg /m3/2H
Since the LD50 of table salt is 3,000 mg/kg, the acute toxicity of BPA is the same as that of table salt.
Ecological data
Do not allow undiluted or large quantities of products that are slightly hazardous to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 38.45
2. Molar volume (cm3/mol): 127.3
3. Isotonic specific volume (90.2K): 295.0
4. Surface tension (dyne/ cm): 28.8
5. Dielectric constant: 2.38
6. Dipole moment (10-24cm3 ):
7. Polarizability: 15.24
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.6
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: 8
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
Keep 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
None yet
