Chemical Properties of 1(4H)-pyridineacetic acid, 3,5-dichloro-4-oxo- (CAS 56187-37-2)

1(4H)-pyridineacetic acid, 3,5-dichloro-4-oxo-

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InChI
InChI=1S/C7H5Cl2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
InChI Key
UHXYYTSWBYTDPD-UHFFFAOYSA-N
Formula
C7H5Cl2NO3
SMILES
Nc1c(Cl)cc(C(=O)O)cc1Cl
Molecular Weight1
222.02
CAS
56187-37-2
Other Names
  • 3,5-dichloro-4-oxo-4H-pyridine-1-acetic acid
Sources

Physical Properties

Property Value Unit Source
Δf -131.57 kJ/mol Joback Calculated Property
Δfgas -248.19 kJ/mol Joback Calculated Property
Δfus 26.04 kJ/mol Joback Calculated Property
Δvap 78.27 kJ/mol Joback Calculated Property
logPoct/wat 2.27 Crippen Calculated Property
Pc 4652.99 kPa Joback Calculated Property
Tboil 694.62 K Joback Calculated Property
Tc 921.79 K Joback Calculated Property
Tfus 486.48 K Joback Calculated Property
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 273.93 J/mol×K 694.62 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-Cl 2
=CH- (ring) 2
-OH (alcohol) 1
-NH2 1
=C< (ring) 4
>C=O (nonring) 1

Similar Compounds

3,5-Dichlorobenzoic acid. Benzoic acid, 3-chloro-4-nitro-. Benzoic acid, 3,5-dichloro-, methyl ester. Benzoic acid, 2-amino-5-chloro-. Benzoic acid, 3-chloro-. Benzoic acid, 4-amino-2-chloro-. Benzoic acid, 3,4-dichloro-. 3-Amino-2,5-dichlorobenzoic acid. 3-Cl-C6H4-COOCH3. 3-Amino-4-chlorobenzoic acid. Benzonitrile, 4-amino-3,5-dichloro-. Benzoic acid, 2-amino-5-chloro-, methyl ester. 3,5-Dichloro-4-hydroxybenzoic acid. Benzoic acid, 3-chloro-, ethyl ester. p-Aminobenzoic acid.

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