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25014-41-9

25014-41-9 structural image
Product Name: Polyacrylonitrile
Formula: C3H3N
Synonyms: Vinyl cyanide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Acrylonitrile, stabilized appears as a clear colorless liquid with a strong pungent odor. Flash point 32 °F. Prolonged exposure to the vapors or skin contact harmful. Density 6.7 lb / gal. Vapors heavier than air. Combustion produces toxic oxides of nitrogen. Requires storage and handling in closed systems. Used in insecticides and to make plastics, fibers and other chemicals. Rate of onset: Immediate Persistence: Minutes to hours Odor threshold: 17 ppm Source/use/other hazard: Plastics, coatings, adhesives industries; dyes; pharmaceuticals; flam gas.
Color/Form Clear, colorless liquid at room temperature
Odor Practically odorless, or with a very slight odor of peach kernels
Boiling Point 171 °F at 760 mmHg (EPA, 1998)
Melting Point -116 °F (EPA, 1998)
Flash Point 32 °F (EPA, 1998)
Solubility 10 to 50 mg/mL at 70.9 °F (NTP, 1992)
Density 0.8004 at 77 °F (EPA, 1998) - Less dense than water; will float
Vapor Density 1.9 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 100 mmHg at 73.4 °F (EPA, 1998)
LogP log Kow = 0.25
Henry's Law Constant Henry's Law constant = 1.38X10-4 atm cu m/mole at 25 °C
Stability/Shelf Life Stable under recommended storage conditions.
Autoignition Temperature 898 °F (USCG, 1999)
Decomposition Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx).
Viscosity 0.34 sq mm/s at 25 °C
Corrosivity Attacks copper and copper alloys ... attacks aluminum in high concentration
Heat of Combustion 1761.8 kJ/mol at 25 °C (liquid)
Heat of Vaporization 32.6 kJ/mol at 25 °C
pH pH = 6.0-7.5
Surface Tension 27.76 dyn/cm at 15.1 °C; 27.54 mN/m at 17.8 °C
Ionization Potential 10.91 eV
Polymerization Hazardous polymerization may occur. Polymerization may be caused by elevated temperature or alkalies. Uninhibited monomer vapor may form polymer in vents and other confined spaces.
Odor Threshold Odor Threshold Low: 21.6 [mmHg] The odor threshold was based on results from a panel of human subjects. [ACGIH] VP from HSDB
Refractive Index Index of refraction: 1.3911 at 20 °C/D
Relative Evaporation Rate 4.54 (Butyl acetate = 1)
Kovats Retention Index 520 496.4 500 491 495 499.1 493.4 495 492 495 490 492 516
Other Experimental Properties ... Yellowing upon exposure to light indicates photo-alteration to saturated derivatives.
Chemical Classes Nitrogen Compounds -> Nitriles

COMPUTED DESCRIPTORS

Molecular Weight 53.06 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 53.026549100 g/mol
Monoisotopic Mass 53.026549100 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 4
Formal Charge 0
Complexity 54.9
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Acrylonitrile is a colorless, liquid, man-made chemical with a sharp, onion- or garlic-like odor. It can be dissolved in water and evaporates quickly. Acrylonitrile is used to make other chemicals such as plastics, synthetic rubber, and acrylic fibers. A mixture of acrylonitrile and carbon tetrachloride was used as a pesticide in the past; however, all pesticide uses have stopped.