Chemical Properties of Benzoic acid, 4-nitro, (E)-2-butenyl ester

Benzoic acid, 4-nitro, (E)-2-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/h2-7H,8H2,1H3/b3-2+
InChI Key
IFYMPHLEENWYIT-NSCUHMNNSA-N
Formula
C11H11NO4
SMILES
CC=CCOC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
221.21
Other Names
  • (E)-2-Butenyl 4-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf 26.37 kJ/mol Joback Calculated Property
Δfgas -183.65 kJ/mol Joback Calculated Property
Δfus 32.25 kJ/mol Joback Calculated Property
Δvap 68.72 kJ/mol Joback Calculated Property
logPoct/wat 2.33 Crippen Calculated Property
Pc 2928.17 kPa Joback Calculated Property
Tboil 715.03 K Joback Calculated Property
Tc 956.93 K Joback Calculated Property
Tfus 463.36 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 421.70 J/mol×K 715.03 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 1
=CH- 2
-CH3 1

Similar Compounds

4-Nitrobenzoic acid, 3-methylbut-2-enyl ester. Benzoic acid, 4-nitro, allyl ester. 4-Nitrobenzoic acid, pent-2-en-4-ynyl ester. 4-Nitrobenzoic acid, 3-chloroprop-2-enyl ester. Ethyl 4-nitrobenzoate. 4-Nitrobenzoic acid, undec-2-enyl ester. Benzoic acid, 4-nitro-, 1-methylethyl ester. Benzoic acid, 4-nitro, 2-propynyl ester. P-nitrobenzoic acid, n-propyl ester. Ethanol, 2-chloro, 4-nitrobenzoate. Benzoic acid, 4-nitro-, methyl ester. Methyl p-nitro benzoate. P-nitrobenzoic acid, isobutyl ester. Benzoic acid, 4-nitro, 3-butenyl ester. n-Butyl 4-nitrobenzoate.

Find more compounds similar to Benzoic acid, 4-nitro, (E)-2-butenyl ester.

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