CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 2-pentenenitrile is a clear yellow liquid. (NTP, 1992) |
|---|---|
| Boiling Point | 234 °F at 760 mmHg (NTP, 1992) |
| Flash Point | 73.8 °F (NTP, 1992) |
| Solubility | 5 to 10 mg/mL at 66 °F (NTP, 1992) |
| Density | 0.82 at 39 °F (NTP, 1992) - Less dense than water; will float |
| Vapor Pressure | 6 mmHg at 77 °F ; 110 mmHg at 122 °F; 134 mmHg at 158 °F (NTP, 1992) |
| Kovats Retention Index | 755 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H226:Flammable liquids H301:Acute toxicity,oral H311:Acute toxicity,dermal H331:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 81.12 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 81.057849228 g/mol |
| Monoisotopic Mass | 81.057849228 g/mol |
| Topological Polar Surface Area | 23.8 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 83.4 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-pentenenitrile is a clear yellow liquid. (NTP, 1992)