Chemical Properties of Benzoic acid, 4-nitro, 3-butenyl ester

Benzoic acid, 4-nitro, 3-butenyl ester

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InChI
InChI=1S/C11H11NO4/c1-2-3-8-16-11(13)9-4-6-10(7-5-9)12(14)15/h2,4-7H,1,3,8H2
InChI Key
DFDRWMPCODKLTO-UHFFFAOYSA-N
Formula
C11H11NO4
SMILES
C=CCCOC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
221.21
Other Names
  • 3-Butenyl 4-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf 33.99 kJ/mol Joback Calculated Property
Δfgas -175.44 kJ/mol Joback Calculated Property
Δfus 30.77 kJ/mol Joback Calculated Property
Δvap 68.09 kJ/mol Joback Calculated Property
logPoct/wat 2.33 Crippen Calculated Property
Pc 2896.73 kPa Joback Calculated Property
Tboil 707.55 K Joback Calculated Property
Tc 944.79 K Joback Calculated Property
Tfus 466.68 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 422.09 J/mol×K 707.55 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 2
=CH- 1
>C=O (nonring) 1
=CH2 1

Similar Compounds

Benzoic acid, 4-nitro, (E)-3-hexenyl ester. Benzoic acid, 4-nitro, (Z)-3-hexenyl ester. P-nitrobenzoic acid, n-propyl ester. P-nitrobenzoic acid, isobutyl ester. n-Butyl 4-nitrobenzoate. Benzoic acid, 4-nitro, 1-methyl-3-butenyl ester. Benzoic acid, 4-nitro, 4-pentenyl ester. Ethyl 4-nitrobenzoate. Benzoic acid, 4-nitro-, pentyl ester. 1-Butanol, 3-methyl-, 4-nitrobenzoate. Benzoic acid, 4-nitro, 1-methylpropyl ester. Benzoic acid, 4-nitro-, 1-methylethyl ester. 4-Nitrobenzoic acid, heptyl ester. Benzoic acid, 4-nitro, allyl ester. 4-Nitrobenzoic acid, dodecyl ester.

Find more compounds similar to Benzoic acid, 4-nitro, 3-butenyl ester.

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