110-59-8
Product Name:
Valeronitrile
Formula:
C5H9N
Synonyms:
Butyl cyanide;Butyl cyanide, Valeronitrile;Pentanenitrile;Pentanonitrile;Valeronitrile
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Valeronitrile is a clear colorless to yellow liquid. (NTP, 1992) |
|---|---|
| Boiling Point | 282 to 286 °F at 760 mmHg (NTP, 1992) |
| Melting Point | -141 °F (NTP, 1992) |
| Flash Point | 105 °F (NTP, 1992) |
| Solubility | 1 to 5 mg/mL at 72.5 °F (NTP, 1992) |
| Density | 0.8008 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Vapor Pressure | 5 mmHg at 64.6 °F ; 10 mmHg at 86 °F; 20 mmHg at 109.9 °F (NTP, 1992) |
| LogP | 1.12 |
| Kovats Retention Index | 737.27 737.44 737.79 738.24 738.84 739.5 740.32 741.21 742.19 743.33 744.5 745.75 747.03 748.48 749.97 751.52 753.12 754.8 745 755 741 742 743 741 743 744 747 721 |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral |
| 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. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 83.13 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 83.073499291 g/mol |
| Monoisotopic Mass | 83.073499291 g/mol |
| Topological Polar Surface Area | 23.8 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 57.6 |
| 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
Valeronitrile is a clear colorless to yellow liquid. (NTP, 1992)