Chemical Properties of Benzoic acid, 4-nitro, 4-pentenyl ester

Benzoic acid, 4-nitro, 4-pentenyl ester

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InChI
InChI=1S/C12H13NO4/c1-2-3-4-9-17-12(14)10-5-7-11(8-6-10)13(15)16/h2,5-8H,1,3-4,9H2
InChI Key
UFYGZXVKAMZTBH-UHFFFAOYSA-N
Formula
C12H13NO4
SMILES
C=CCCCOC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
235.24
Other Names
  • 4-Pentenyl 4-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf 42.41 kJ/mol Joback Calculated Property
Δfgas -196.08 kJ/mol Joback Calculated Property
Δfus 33.36 kJ/mol Joback Calculated Property
Δvap 70.32 kJ/mol Joback Calculated Property
logPoct/wat 2.72 Crippen Calculated Property
Pc 2619.09 kPa Joback Calculated Property
Tboil 730.43 K Joback Calculated Property
Tc 963.14 K Joback Calculated Property
Tfus 477.95 K Joback Calculated Property
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 473.28 J/mol×K 730.43 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 3
=CH- 1
>C=O (nonring) 1
=CH2 1

Similar Compounds

n-Butyl 4-nitrobenzoate. 1-Butanol, 3-methyl-, 4-nitrobenzoate. Benzoic acid, 4-nitro-, pentyl ester. P-nitrobenzoic acid, n-propyl ester. 4-Nitrobenzoic acid, heptyl ester. 4-Nitrobenzoic acid, dodecyl ester. 4-Nitrobenzoic acid, undecyl ester. Benzoic acid, 4-nitro-, octyl ester. P-nitrobenzoic acid, isobutyl ester. Benzoic acid, 4-nitro, 3-butenyl ester. 4-Nitrobenzoic acid, 2-pentyl ester. Ethyl 4-nitrobenzoate. Benzoic acid, 4-nitro, 1-methylpropyl ester. Benzoic acid, 4-nitro, (E)-3-hexenyl ester. Benzoic acid, 4-nitro, (Z)-3-hexenyl ester.

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

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