isopropyl isobutyrate

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:617-50-5

mdl number:none

einecs number:210-517-5

rtecs number:nq5320000

brn number:none

pubchem id:none

physical property data

1. physical property data

1. boiling point (ºc, normal pressure): 130 °c

2. density: 0.85g/ml at 25 °c (lit.

3. refractive index: n20/d 1.388(lit.)

4. flash point (ºc): 20 ºc

5. relative density (20℃, 4℃): 0.8588

6. refractive index at room temperature (n²⁰): 1.3936

toxicological data

none yet

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index: 36.17

2. molar volume (cm³/mol): 148.3

3. isotonic specific volume (90.2k): 330.1

4. surface tension (dyne/cm): 24.5

5. polarizability (10^-24cm³): 14.33

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 95.1

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

properties and stability:

the product may not decompose under normal temperature and pressure.

storage method

storage:

seal the container and store it in a sealed main container in a cool, dry place.

synthesis method

none yet

purpose

none yet

resource:allhdi.com