Chemical Properties of Acetic acid, 3-nitrophenyl ester (CAS 1523-06-4)

Acetic acid, 3-nitrophenyl ester

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InChI
InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3
InChI Key
HRMRLUUZPLAPAS-UHFFFAOYSA-N
Formula
C8H7NO4
SMILES
CC(=O)Oc1cccc([N+](=O)[O-])c1
Molecular Weight1
181.15
CAS
1523-06-4
Sources

Physical Properties

Property Value Unit Source
Δf -79.11 kJ/mol Joback Calculated Property
Δfgas -238.95 kJ/mol Joback Calculated Property
Δfus 24.28 kJ/mol Joback Calculated Property
Δvap 62.09 kJ/mol Joback Calculated Property
IE 9.40 ± 0.20 eV NIST
logPoct/wat 1.52 Crippen Calculated Property
Pc 3848.31 kPa Joback Calculated Property
Tboil 642.23 K Joback Calculated Property
Tc 889.97 K Joback Calculated Property
Tfus 434.63 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 298.26 J/mol×K 642.23 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH3 1

Similar Compounds

1-Ethoxy-3-nitrobenzene. Benzene, 1-methoxy-3-nitro-. Fumaric acid, ethyl 3-nitrophenyl ester. Glutaric acid, ethyl 3-nitrophenyl ester. Pimelic acid, ethyl 3-nitrophenyl ester. Sebacic acid, ethyl 3-nitrophenyl ester. 2-Methoxy-5-nitrophenol, acetate. Glutaric acid, 3-nitrophenyl propyl ester. Sebacic acid, 3-nitrophenyl propyl ester. Glutaric acid, 3-nitrophenyl pentyl ester. Glutaric acid, butyl 3-nitrophenyl ester. Pimelic acid, 3-nitrophenyl octyl ester. Sebacic hexyl 3-nitrophenyl ester. Sebacic acid, 3-nitrophenyl pentyl ester. Sebacic acid, 3-nitrophenyl nonyl ester.

Find more compounds similar to Acetic acid, 3-nitrophenyl ester.

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