isobutyryl chloride isobutyryl chloride

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:79-30-1

mdl number:mfcd00000717

einecs number:201-194-1

rtecs number:uc3944000

brn number:605393

pubchem number:24848392

physical property data

1. properties: colorless transparent liquid

2. density (g/ml, 25/4℃): 1.101 ± 0.06

3. relative density (20℃, 4℃): 1.0147

4. melting point (ºc): -90

5. boiling point (ºc, normal pressure): 92

6. refraction at room temperature index (n²⁰): 1.4079

7. refractive index: 1.4079

8. flash point (ºc): 1

9. specific rotation (º): uncertain

10. autoignition point or ignition temperature (ºc): uncertain

11. vapor pressure (kpa, 25ºc): uncertain determined

12. saturated vapor pressure (kpa, 60ºc): uncertain

13. heat of combustion (kj/mol): uncertain

14. critical temperature (ºc): uncertain

15. critical pressure (kpa): uncertain

16. log value of oil-water (octanol/water) partition coefficient: uncertain

16. p>

17. explosion upper limit (%, v/v): uncertain

18. explosion lower limit (%, v/v): uncertain

19. dissolution properties: decomposes when exposed to water and ethanol. soluble in ether.

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 25.41

2. molar volume (cm³/mol): 103.4

3. isotonic specific volume (90.2k ): 232.1

4. surface tension (dyne/cm): 25.3

5. polarizability (10^-24cm³): 10.07

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.8

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 17.1

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 58.6

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain atomic stereocenternumber of ��centers: 0

13. determined number of stereocenters of chemical bonds: 0

14. uncertain number of stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be kept sealed and dry.

synthesis method

none yet

purpose

used in organic synthesis.