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) |
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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 |
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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 |
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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)