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
