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