Chemical Properties of Benzoic acid, 4-nitro, 1-methyl-3-butenyl ester

Benzoic acid, 4-nitro, 1-methyl-3-butenyl ester

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InChI
InChI=1S/C12H13NO4/c1-3-4-9(2)17-12(14)10-5-7-11(8-6-10)13(15)16/h3,5-9H,1,4H2,2H3
InChI Key
XOURINZFXLPYEX-UHFFFAOYSA-N
Formula
C12H13NO4
SMILES
C=CCC(C)OC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
235.24
Other Names
  • 4-Penten-2-yl 4-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf 39.97 kJ/mol Joback Calculated Property
Δfgas -201.36 kJ/mol Joback Calculated Property
Δfus 29.83 kJ/mol Joback Calculated Property
Δvap 69.93 kJ/mol Joback Calculated Property
logPoct/wat 2.72 Crippen Calculated Property
Pc 2640.67 kPa Joback Calculated Property
Tboil 729.99 K Joback Calculated Property
Tc 967.12 K Joback Calculated Property
Tfus 462.95 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 473.87 J/mol×K 729.99 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to Benzoic acid, 4-nitro, 1-methyl-3-butenyl ester.

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