isobutyl isovalerate

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:589-59-3

mdl number:mfcd00048349

einecs number:209-653-8

rtecs number:ny1506000

brn number:1702649

pubchem number:24881755

physical property data

1. physical property data

1. density: 0.853g/ml at 25 °c (lit.

2. refractive index: n20 /d 1.4057(lit.)

3. boiling point (ºc): 171.4

4. relative density (20℃, 4℃): 0.8736

5 .       critical temperature (ºc): 347.85

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 45.43

2. molar volume (cm³/mol): 181.3

3. isotonic specific volume (90.2k): 409.7

4. surface tension (dyne/cm): 26.0

5. polarizability (10^-24cm³): 18.01

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.7

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 5

5. number of tautomers: none

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 117

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

resource:allhdi.com