5-methyl-2-pyrrolidone 5-methyl-2-pyrrolidone

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:108-27-0

mdl number:mfcd00005273

einecs number:203-566-9

rtecs number:none

brn number:none

pubchem number:24897207

physical property data

1. characteristics: undetermined

2. density (g/ml, 25℃): undetermined

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

4. melting point (ºc): 41-43

5. boiling point (ºc, normal pressure): 248

6. boiling point ( ºc, kpa): not determined

7. refractive index (_d²⁰): not determined

8. flash point (ºc): undetermined

9. specific optical rotation (ºc): undetermined

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

11. vapor pressure (mmhg, ºc): undetermined

12. saturation vapor pressure (kpa, ºc): undetermined

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

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol /water) logarithmic value of the distribution coefficient: undetermined

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

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

19. solubility: undetermined

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 26.63

2. molar volume (cm³/mol): 101.2

3. isotonic specific volume (90.2k ): 231.9

4. surface tension (dyne/cm): 27.5

5. polarizability (10-24cm3): 10.55

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 0

5. number of tautomers: 3

6. topological molecule polar surface area 29.1

7. number of heavy atoms: 7

8. surface charge: 0

9. complexity: 90.1

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

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