Chemical Properties of 2,4-Dinitrophenylacetic acid (CAS 643-43-6)

2,4-Dinitrophenylacetic acid

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InChI
InChI=1S/C8H6N2O6/c11-8(12)3-5-1-2-6(9(13)14)4-7(5)10(15)16/h1-2,4H,3H2,(H,11,12)
InChI Key
KCNISYPADDTFDO-UHFFFAOYSA-N
Formula
C8H6N2O6
SMILES
O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
Molecular Weight1
226.14
CAS
643-43-6
Other Names
  • Acetic acid, 2,4-dinitrophenyl-
Sources

Physical Properties

Property Value Unit Source
Δf -85.01 kJ/mol Joback Calculated Property
Δfgas -281.19 kJ/mol Joback Calculated Property
Δfus 38.15 kJ/mol Joback Calculated Property
Δvap 93.61 kJ/mol Joback Calculated Property
logPoct/wat 1.130 Crippen Calculated Property
Pc 4409.10 kPa Joback Calculated Property
Tboil 868.81 K Joback Calculated Property
Tc 1116.50 K Joback Calculated Property
Tfus 629.35 K Joback Calculated Property
Vc 0.565 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 389.01 J/mol×K 868.81 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 3
-OH (alcohol) 1
=C< (ring) 3
-CH2- 1
>C=O (nonring) 1
-NO2 2

Similar Compounds

Benzeneacetic acid, 2-nitro-. (2-Nitrophenyl)acetic acid, methyl ester. 1,6-Di-(2,4-dinitro-phenyl)-hexane. 2,2',4,4',6,6'-Hexanitrodibenzyl. Benzeneethanol, 2-nitro-. Benzene, 1-methyl-2,4-dinitro-. 4,6-Dinitro-1,3-dimethyl-benzene. Benzeneethanol, 2-nitro-, acetate. Benzenamine, 2-methyl-3,5-dinitro-. 2,4,6-Trinitro-1,3-dimethyl-5-t-butylbenzene. 2,4,6-Trinitrophenoxyethyl nitrate. Trinitrotoluene. 2,4-Dinitrobenzaldehyde. P-toluidine, 3,5-dinitro-. 2,4-Dinitro-1,3-dimethyl-benzene.

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