5-methyl-2-pyrrolidone 5-methyl-2-pyrrolidone
structural formula
| business number | 02ws |
|---|---|
| molecular formula | c5h9no |
| molecular weight | 99.13 |
| label |
5-methyl-2-pyrrolidone, 5-methyl-2-pyrrolidinone |
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
