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107-12-0

107-12-0 structural image
Product Name: Propionitrile
Formula: C3H5N
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Propionitrile appears as a colorless liquid with an ether-like odor. Density 0.683 g / cm3. Flash point 61 °F. Toxic by inhalation, skin absorption, and ingestion. Vapors are heavier than air. Used as a solvent, and to make other chemicals.
Color/Form Colorless liquid
Odor Pleasant, sweetish, ethereal odor.
Boiling Point 207 °F at 760 mmHg (EPA, 1998)
Melting Point -133 °F (EPA, 1998)
Flash Point 35.6 °F (EPA, 1998)
Solubility 50 to 100 mg/mL at 73 °F (NTP, 1992)
Density 0.802 at 32 °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 40 mmHg at 71.6 °F (EPA, 1998)
LogP log Kow= 0.16
Henry's Law Constant Henry's Law constant = 3.70X10-5 atm cu m/mole @ 25 °C
Autoignition Temperature 510 °C
Decomposition When heated to decomp it emits toxic fumes of /nitrogen oxides and cyanides/.
Viscosity 0.454 cP @ 15 °C; 0.389 cP @ 30 °C
Heat of Combustion -1910.62 kJ/mol @ 25 °C (liquid)
Heat of Vaporization 36.03 kJ/mol @ 22.83 °C
Surface Tension 27.25 dyne/cm @ 20 °C; 26.19 dyne/cm @ 30 °C
Ionization Potential 11.84 eV
Refractive Index INDEX OF REFRACTION: 1.36812 @ 15 °C/D; 1.36585 @ 20 °C/D; 1.36132 @ 30 °C/D
Dissociation Constants pKa = 33.54
Kovats Retention Index 542.29 542.32 542.38 542.41 542.6 542.69 542.9 543.13 543.33 543.83 544.44 545.05 545.79 546.65 547.65 548.6 549.63 550.75 545.3 547 554 554 555 544 547.4 524 540.5 539 542 539 580 580 557
Other Experimental Properties Hydroxyl radical reaction rate constant = 1.94X10-13 cu cm/molecule-sec @ 25 °C
Chemical Classes Nitrogen Compounds -> Nitriles

SAFETY INFORMATION

Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H225:Flammable liquids
H300:Acute toxicity,oral
H310:Acute toxicity,dermal
H319:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 55.08 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 55.042199164 g/mol
Monoisotopic Mass 55.042199164 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 4
Formal Charge 0
Complexity 38.5
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

Propionitrile appears as a colorless liquid with an ether-like odor. Density 0.683 g / cm3. Flash point 61 °F. Toxic by inhalation, skin absorption, and ingestion. Vapors are heavier than air. Used as a solvent, and to make other chemicals.