Chemical Properties of 4-Cyanobenzoic acid, 5-fluoro-2-nitrophenyl ester

4-Cyanobenzoic acid, 5-fluoro-2-nitrophenyl ester

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InChI
InChI=1S/C14H7FN2O4/c15-11-5-6-12(17(19)20)13(7-11)21-14(18)10-3-1-9(8-16)2-4-10/h1-7H
InChI Key
VQTYKYJPTZOPLV-UHFFFAOYSA-N
Formula
C14H7FN2O4
SMILES
N#Cc1ccc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1
Molecular Weight1
286.21
Sources

Physical Properties

Property Value Unit Source
Δf 2.93 kJ/mol Joback Calculated Property
Δfgas -180.43 kJ/mol Joback Calculated Property
Δfus 37.67 kJ/mol Joback Calculated Property
Δvap 88.70 kJ/mol Joback Calculated Property
logPoct/wat 2.82 Crippen Calculated Property
Pc 2611.07 kPa Joback Calculated Property
Tboil 917.50 K Joback Calculated Property
Tc 1177.77 K Joback Calculated Property
Tfus 619.29 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 518.72 J/mol×K 917.5 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CN 1
-F 1
=CH- (ring) 7
-NO2 1
=C< (ring) 5
>C=O (nonring) 1

Similar Compounds

P-toluic acid, 5-fluoro-2-nitrophenyl ester. P-methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester. 2,4-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. O-methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2-nitro-5-fluorophenyl ester. Benzoic acid, o-nitropheyl ester. Isophthalic acid, heptyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl octyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl nonyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-nitro-5-fluorophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. Carbonic acid, ethyl 2-nitro-5-fluorophenyl ester. Carbonic acid, propyl 2-nitro-5-fluorophenyl ester. Carbonic acid, isobutyl 2-nitro-5-fluorophenyl ester.

Find more compounds similar to 4-Cyanobenzoic acid, 5-fluoro-2-nitrophenyl ester.

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