1-ethenylpyrrolidin-2-one; prop-2-enoic acid

• ChemBase ID: 137095
• Molecular Formular: C9H13NO3
• Molecular Mass: 183.20442
• Monoisotopic Mass: 183.08954328
• SMILES: C=CC(=O)O.C=CN1CCCC1=O
• Canonical SMILES: C=CN1CCCC1=O.C=CC(=O)O
• InChI: InChI=1S/C6H9NO.C3H4O2/c1-2-7-5-3-4-6(7)8;1-2-3(4)5/h2H,1,3-5H2;2H,1H2,(H,4,5)
• InChIKey: GUQJTTJZPGRWIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenylpyrrolidin-2-one; prop-2-enoic acid
• IUPAC Traditional name: N-vinylpyrrolidone; acrylic acid
• Synonyms: Poly(1-vinylpyrrolidone-co-acrylic acid); 聚(1-乙烯基吡咯烷酮-co-丙烯酸)

Database IDs

• CAS Number: 28062-44-4
• PubChem SID: 162231360
• PubChem CID: 197163

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.14874117
• LogD (pH = 7.4): 0.14874117
• Log P: 0.14874117
• Molar Refractivity: 30.8468 cm^3
• Polarizability: 12.020745 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble (pH ≥4.5)
• Apperance: white powder (Fine)
• Transition Temperature: Tg 185 °C

Safety Information

• RTECS: UD3665000
• German water hazard class: 3

Product Information

• Impurities: ≤3.0% moisture content
• Mol. Weight: average Mn ~20,000 by GPC; average Mw ~96,000 by GPC
• Hardness: 6 H (ASTM D 3363)
• Relative viscosity: 1.4-1.7, 1 wt. % in 0.25 M NaOH in 0.2 N LiNO3(lit.)
• Acid Value: 170-210

DETAILS

Sigma Aldrich - 418528

Application
Encapsulating aid, emulsifying and dispersing aid, textile sizing agent, film former, remoistenable adhesives and antiredeposition agent.
Features and Benefits
Forms hard, transparent films. Films adheres to paper, OPP, Mylar and aluminum.