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Acenaphthylene

Catalog Number
ACM208968-1
Product Name
Acenaphthylene
Structure
CAS
208-96-8
Category
Carbon Nanomaterials
Synonyms
Cyclopenta[de]naphthalene
IUPAC Name
acenaphthylene
Molecular Weight
152.19
Molecular Formula
C12H8
Canonical SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2;
InChI
HXGDTGSAIMULJN-UHFFFAOYSA-N
InChI Key
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
Boiling Point
280 °C(lit.)
Melting Point
78-82 °C(lit.)
Flash Point
122°C
Purity
99%
Density
0.899 g/cm3 at 25 °C(lit.)
Solubility
Insoluble (NTP, 1992);1.06e-04 M;In water, 3.93 mg/L at 25 deg C;In water, 9 mg/L at 25 deg C (OECD Guideline 105);Very soluble in ethanol, ether, benzene; slightly soluble in chloroform;
Appearance
Solid
Application
Polycyclic aromatic hydrocarbons as carcinogenic
Storage
APPROX 4°C
Color/Form
Yellow needles;Colorless crystalline solid;Prisms from ether and plates from alcohol;
Complexity
184
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
205-917-1
Exact Mass
152.0626
Formal Charge
0
Heavy Atom Count
12
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
152.0626
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 deg C;Hydroxyl radical reaction rate constant = 1.09X10-10 cu cm/molec-sec at 25 deg C;Gas-phase ozone reaction rate constant = 3.99-16 cu cm/molec-sec at 25 deg C;Nitrate radical reaction rate constant = 4.42X10-12 cu cm/molec-sec at 25 deg C;
Rotatable Bond Count
0
Stability
Stable under recommended storage conditions.;
Topological Polar Surface Area
0 Ų
UNII
1Z25C36811
UN Number
3077
Vapor Pressure
0.01 mmHg;0.0048 mm Hg at 25 deg C;
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