Chemical Properties of 7-Nitro benz(a)anthracene (CAS 20268-51-3)

7-Nitro benz(a)anthracene

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C18H11NO2/c20-19(21)18-15-8-4-2-6-13(15)11-17-14-7-3-1-5-12(14)9-10-16(17)18/h1-11H
InChI Key
KOPVBVBUIYTJBG-UHFFFAOYSA-N
Formula
C18H11NO2
SMILES
O=[N+]([O-])c1c2ccccc2cc2c3ccccc3ccc21
Molecular Weight1
273.29
CAS
20268-51-3
Other Names
  • 7-Nitro benz(a)anthracene
Sources

Physical Properties

Property Value Unit Source
Δf 539.70 kJ/mol Joback Calculated Property
Δfgas 349.72 kJ/mol Joback Calculated Property
Δfus 37.67 kJ/mol Joback Calculated Property
Δvap 81.44 kJ/mol Joback Calculated Property
logPoct/wat 5.05 Crippen Calculated Property
Pc 2732.56 kPa Joback Calculated Property
Tboil 861.64 K Joback Calculated Property
Tc 1141.16 K Joback Calculated Property
Tfus 598.31 K Joback Calculated Property
Vc 0.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 558.44 J/mol×K 861.64 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 7
-NO2 1
=CH- (ring) 11

Similar Compounds

6-Nitrochrysene. Pyrene, 4-nitro-. 4-Nitrophenanthrene. 1-Nitropyrene. 9-Nitrophenanthrene. 6-Nitrobenzo(a)pyrene. 1,6-Dinitropyrene. 1,8-Dinitropyrene. Anthracene, 9-nitro-. Naphthalene, 1-nitro-. Naphthalene, 1,4-dinitro-. Pyrene, 2-nitro-. Naphthalene, 1,3-dinitro-. Naphthalene, 2-nitro-. 1-Methyl-9-nitrophenanthrene.

Find more compounds similar to 7-Nitro benz(a)anthracene.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.