CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Butyronitrile appears as a clear colorless liquid. Flash point 76 °F. Less dense than water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used in the manufacture of other chemicals. |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Sharp, suffocating odor. |
| Boiling Point | 244 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -171 °F (USCG, 1999) |
| Flash Point | 62 °F (USCG, 1999) |
| Solubility | 3 % at 77 °F (NIOSH, 2023) |
| Density | 0.7936 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | 2.4 (Air= 1) |
| Vapor Pressure | 20.68 mmHg (USCG, 1999) |
| LogP | log Kow = 0.53 |
| Henry's Law Constant | Henry's Law constant = 5.23X10-5 atm cu m/mole @ 25 °C |
| Autoignition Temperature | 910 °F (USCG, 1999) |
| Decomposition | When heated to decomposition it emits toxic fumes of NOx and CN- /nitrogen oxides and cyanides/. |
| Viscosity | 0.8 cPs @ 0 °C; 0.6 cPs @ 20 °C; 0.5 cPs @ 40 °C |
| Heat of Combustion | -2568.68 kJ/mol @ 25 °C |
| Heat of Vaporization | 39.33 kJ/mol @ 25 °C |
| Surface Tension | 27.33 dyn/cm @ 20 °C |
| Ionization Potential | 11.67 eV |
| Refractive Index | Index of refraction: 1.38385 @ 20 °C/D |
| Kovats Retention Index | 635.87 635.94 635.97 636.14 636.54 636.93 637.5 638.14 638.86 639.74 640.72 641.67 642.74 643.9 645.19 646.43 647.77 649.23 638.1 642 640 640 640 641 638 640 641 643 642 646 |
| Other Experimental Properties | Dipole moment: 3.5 |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H225:Flammable liquids H330:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
COMPUTED DESCRIPTORS
| Molecular Weight | 69.11 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 69.057849228 g/mol |
| Monoisotopic Mass | 69.057849228 g/mol |
| Topological Polar Surface Area | 23.8 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 47.9 |
| 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
Butyronitrile appears as a clear colorless liquid. Flash point 76 °F. Less dense than water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used in the manufacture of other chemicals.