Chemical Properties of n-Butyl 4-nitrobenzoate (CAS 120-48-9)

n-Butyl 4-nitrobenzoate

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InChI
InChI=1S/C11H13NO4/c1-2-3-8-16-11(13)9-4-6-10(7-5-9)12(14)15/h4-7H,2-3,8H2,1H3
InChI Key
DVTGVOHTTDVRJF-UHFFFAOYSA-N
Formula
C11H13NO4
SMILES
CCCCOC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
223.23
CAS
120-48-9
Other Names
  • 4-Nitrobenzoic acid, butyl ester
  • Benzoic acid, 4-nitro-, butyl ester
  • Butyl 4-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -53.85 kJ/mol Joback Calculated Property
Δfgas -300.87 kJ/mol Joback Calculated Property
Δfus 32.05 kJ/mol Joback Calculated Property
Δvap 68.77 kJ/mol Joback Calculated Property
logPoct/wat 2.55 Crippen Calculated Property
Pc 2770.08 kPa Joback Calculated Property
Tboil 710.87 K Joback Calculated Property
Tc 943.55 K Joback Calculated Property
Tfus 468.44 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 445.69 J/mol×K 710.87 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
-CH3 1

Similar Compounds

Benzoic acid, 4-nitro, 4-pentenyl ester. 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, undecyl ester. 4-Nitrobenzoic acid, dodecyl 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.

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