Chemical Properties of Benzoic acid, 4-nitro, (E)-3-hexenyl ester

Benzoic acid, 4-nitro, (E)-3-hexenyl ester

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InChI
InChI=1S/C13H15NO4/c1-2-3-4-5-10-18-13(15)11-6-8-12(9-7-11)14(16)17/h3-4,6-9H,2,5,10H2,1H3/b4-3+
InChI Key
AGMSPQYTEWLJLC-ONEGZZNKSA-N
Formula
C13H15NO4
SMILES
CCC=CCCOC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
249.26
Other Names
  • (E)-3-Hexenyl 4-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf 43.21 kJ/mol Joback Calculated Property
Δfgas -224.93 kJ/mol Joback Calculated Property
Δfus 37.43 kJ/mol Joback Calculated Property
Δvap 73.18 kJ/mol Joback Calculated Property
logPoct/wat 3.11 Crippen Calculated Property
Pc 2402.92 kPa Joback Calculated Property
Tboil 760.79 K Joback Calculated Property
Tc 993.55 K Joback Calculated Property
Tfus 485.90 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 525.56 J/mol×K 760.79 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- 3
=CH- 2
-CH3 1

Similar Compounds

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

Find more compounds similar to Benzoic acid, 4-nitro, (E)-3-hexenyl ester.

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