Acenaphthylene - Materials / Alfa Chemistry

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Acenaphthylene

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Catalog Number

ACMA00016810

Product Name

Acenaphthylene

Category

Polymers

Description

Acenaphthylene is a colorless crystalline solid. Insoluble in water. Used in dye synthesis, insecticides, fungicides, and in the manufacture of plastics.

IUPAC Name

acenaphthylene

Molecular Weight

152.19g/mol

Molecular Formula

C12H8

Canonical SMILES

C1=CC2=C3C(=C1)C=CC3=CC=C2

InChI

InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H

InChI Key

HXGDTGSAIMULJN-UHFFFAOYSA-N

Boiling Point

509 to 527 °F at 760 mm Hg (NTP, 1992);280.0 °C;280 °C

Melting Point

200.3 to 202.1 °F (NTP, 1992);92.5 °C;89.4 °C

Flash Point

122.0 °C (251.6 °F) - closed cup

Density

0.8988 at 61 °F (NTP, 1992);0.8987 g/cu cm at 16 °C

Solubility

Insoluble (NTP, 1992);1.06e-04 M;In water, 3.93 mg/L at 25 °C;In water, 9 mg/L at 25 °C (OECD Guideline 105);Very soluble in ethanol, ether, benzene; slightly soluble in chloroform

Application

Acenaphthylene serves primarily as a versatile intermediate in the chemical industry, playing a crucial role in the production of various compounds such as dyes, soaps, pigments, pharmaceuticals, insecticides, fungicides, herbicides, plant growth hormones, and resins. As a flaky yellow crystalline solid, this polycyclic aromatic hydrocarbon (PAH) with three aromatic rings is also employed in analytical settings, particularly as a reference standard for water analysis through gas chromatography-flame ionization detection (GC-FID). Beyond its direct applications, acenaphthylene's significance is underscored by its presence in coal tar and its contributions to the manufacture of naphthalic acids, naphthalic anhydride, and plastics. The compound's broader context involves its relation to PAH emissions, which predominantly arise from incomplete combustion of organic materials in various industrial processes and human activities, including fossil fuel processing, metal production, and residential or industrial heating.

Color/Form

Yellow needles;Colorless crystalline solid;Prisms from ether and plates from alcohol

Complexity

184

Covalently-Bonded Unit Count

EC Number

205-917-1

Exact Mass

152.0626g/mol

Formal Charge

Heat of Vaporization

64.6-69.1 kJ/mol

Heavy Atom Count

Log P

3.94 (LogP);log Kow = 3.93

MeSH Entry Terms

acenaphthylene;acenaphthylene, radical ion (1-)

Monoisotopic Mass

152.0626g/mol

NSC Number

59821

Other Experimental

Enthalpy of sublimation, 17.0 kcal/mol at 298 K;Henry's Law constant = 1.25X10-4 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 1.09X10-10 cu cm/molec-sec at 25 °C;Gas-phase ozone reaction rate constant = 3.99-16 cu cm/molec-sec at 25 °C;Nitrate radical reaction rate constant = 4.42X10-12 cu cm/molec-sec at 25 °C

Rotatable Bond Count

Stability

Stable under recommended storage conditions.

UNII

1Z25C36811

UN Number

3077

Vapor Pressure

0.01 mmHg;0.0048 mm Hg at 25 °C

XLogP3

3.7

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