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78-11-5

78-11-5 structural image
Product Name: Pentaerythritol tetranitrate
Formula: C5H8N4O12
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Pentaerythrite tetranitrate appears as white crystals. Density 1.75 g / cm3. Melting point 138-140 °C. Detonates at 210 °C. An extremely dangerous explosive, particularly when dry. Especially sensitive to shock and heat. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments.
Color/Form Tetragonal holohedra from acetone + alcohol
Odor Faint, mild odor
Boiling Point Explodes at 205-215 °C
Melting Point 140
Solubility less than 1 mg/mL at 72 °F (NTP, 1992)
Density 1.773 at 20 °C/4 °C
Vapor Pressure 0.00000014 [mmHg]
LogP 1.6
Stability/Shelf Life Although PETN safely withstands storage for 18 mo at 65 °C, continued storage has marked effects of instability; the presence of as little as 0.01% free acid or alkali in PETN markedly accelerates its deterioration. It is the least stable of the standard military bursting charge explosives.
Autoignition Temperature 160 dec C
Decomposition On decomposition it emits highly toxic fumes of /nitric oxide/.
Kovats Retention Index 1791
Other Experimental Properties Severe explosion hazard when shocked or exposed to heat. ... on decomposition it emits highly toxic fumes of NO(x); can react vigorously with oxidizing materials
Chemical Classes Other Uses -> Explosives

COMPUTED DESCRIPTORS

Molecular Weight 316.14 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 8
Exact Mass 316.01387170 g/mol
Monoisotopic Mass 316.01387170 g/mol
Topological Polar Surface Area 220 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 311
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

Pentaerythrite tetranitrate appears as white crystals. Density 1.75 g / cm3. Melting point 138-140 °C. Detonates at 210 °C. An extremely dangerous explosive, particularly when dry. Especially sensitive to shock and heat. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments.