1-iodonaphthalene

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:90-14-2

mdl number:mfcd00003876

einecs number:201-968-9

rtecs number:none

brn number:1906415

pubchem number:24880969

physical property data

melting point (ºc): 4.2

boiling point (ºc): 302

relative density (20℃, 4℃): 1.7399

liquid phase standard claimed heat (enthalpy) (kj·mol^-1): 161.5

gas phase standard claimed heat (enthalpy) (kj·mol^-1): 233.8

gas phase standard entropy (j·mol^-1·k^-1): 367.55

gas phase standard formation free energy (kj·mol^-1): 295.0

gas phase standard hot melt (j·mol^-1·k^-1)：155.10

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index 57.00

2. molar volume (cm³/mol): 145.6

3. isotonic specific volume (90.2k) : 386.7

4. surface tension (dyne/cm): 49.7

5. polarizability (10-24cm3): 22.59

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 133

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

none

storage method

none

synthesis method

none

purpose

none