propionamide propionamide

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:79-05-0

mdl number:mfcd00008039

einecs number:201-172-1

rtecs number:ue2975000

brn number:969258

pubchem number:24848618

physical property data

1. appearance: white flaky crystal

2. density (g/ml, 25/4℃): 1.042

3. relative vapor density (g/ml, air=1): uncertain

4. melting point (ºc): 81.3

5. boiling point (ºc, normal pressure): 213

6. boiling point (ºc, 5.2kpa): uncertain

7. refractive index _(n¹¹⁰_d): 1.418 p>

8. flash point (ºc): uncertain

9. specific rotation (º): uncertain

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

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

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. the logarithmic value of the oil-water (octanol/water) partition coefficient: uncertain

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

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

19. solubility: soluble in water, ethanol, ether and chloroform. can evaporate with water vapor

toxicological data

1. acute toxicity

rat inhalation lc50: 8000ppm

rabbit intravenous ldlo: 230 mg/kg

ecological data

none yet

molecular structure data

1. molar refractive index: 19.51

2. molar volume (cm³/mol): 78.8

3. isotonic specific volume (90.2k ): 185.6

4. surface tension (dyne/cm): 30.6

5. polarizability (10^-24cm³): 7.73

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 1

5. number of tautomers: 3

6. topological molecule polar surface area 43.1

7. number of heavy atoms: 5

8. surface charge: 0

9. complexity: 42.2

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

1. exist in smoke.

storage method

this product should be sealed and stored in a cool, dry place.

synthesis method

none yet

purpose

organic synthesis.