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