Chemical Properties of 3-Nitro-1,8-naphthalic anhydride (CAS 3027-38-1)

3-Nitro-1,8-naphthalic anhydride

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InChI
InChI=1S/C12H5NO5/c14-11-8-3-1-2-6-4-7(13(16)17)5-9(10(6)8)12(15)18-11/h1-5H
InChI Key
FLFLZYYDLIKGJQ-UHFFFAOYSA-N
Formula
C12H5NO5
SMILES
O=C1OC(=O)c2cc([N+](=O)[O-])cc3cccc1c32
Molecular Weight1
243.17
CAS
3027-38-1
Other Names
  • 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 5-nitro-
  • 3-Nitronaphthalic anhydride
  • Naphthalic anhydride, 3-nitro-
Sources

Physical Properties

Property Value Unit Source
Δf 13.04 kJ/mol Joback Calculated Property
Δfgas -222.84 kJ/mol Joback Calculated Property
Δfus 32.15 kJ/mol Joback Calculated Property
Δvap 78.03 kJ/mol Joback Calculated Property
logPoct/wat 2.06 Crippen Calculated Property
Pc 3891.64 kPa Joback Calculated Property
Tboil 860.40 K Joback Calculated Property
Tc 1148.18 K Joback Calculated Property
Tfus 650.48 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 431.32 J/mol×K 860.4 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 5
-NO2 1
>C=O (ring) 2
-O- (ring) 1
=CH- (ring) 5

Similar Compounds

1,8-Naphthalic anhydride. 1,3-Isobenzofurandione, 5-nitro-. 1,3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester. 1,3-Benzenedicarboxylic acid, 5-nitro-, bis(1-methylethyl) ester. 1H,3H-Naphtho[1,8-cd]pyran-1-one. 4-Chloro-1,8-naphthalic anhydride. 3-Phenoxybenzyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, 1-phenylethyl ester. 3-Hydroxy-6-nitro-2-benzofuran-1(3h)-one. Terephthalic acid, ethyl 3-nitro-4-methylbenzyl ester. Benzoic acid, (4-methyl-3-nitrophenyl)methyl ester. Ethyl 3-nitrobenzoate. 3-O2N-C6H4-COOCH3. 1,2-Benzenedicarboxylic acid, 4-nitro-, dimethyl ester. Ethyl 4-hydroxy-3-nitrobenzoate.

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