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
  • Benzoic acid, 4-nitro-, butyl ester
  • Butyl 4-nitrobenzoate
  • 4-Nitrobenzoic acid, butyl ester
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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
log10WS -3.62 Crippen Calculated Property
logPoct/wat 2.552 Crippen Calculated Property
McVol 166.950 ml/mol McGowan Calculated Property
Pc 2770.08 kPa Joback Calculated Property
Inp [1697.00; 1738.00]   Show Hide
Inp 1700.00 NIST
Inp 1704.00 NIST
Inp 1715.00 NIST
Inp 1727.00 NIST
Inp 1738.00 NIST
Inp 1697.00 NIST
Inp 1697.00 NIST
Inp 1700.00 NIST
I [2472.00; 2524.00]   Show Hide
I 2472.00 NIST
I 2511.00 NIST
I 2524.00 NIST
I 2474.00 NIST
I 2472.00 NIST
I 2474.00 NIST
Tboil 710.87 K Joback Calculated Property
Tc 943.55 K Joback Calculated Property
Tfus 468.44 K Joback Calculated Property
Vc 0.649 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [445.69; 508.44] J/mol×K [710.87; 943.55] Show Hide
Cp,gas 445.69 J/mol×K 710.87 Joback Calculated Property
Cp,gas 458.43 J/mol×K 749.65 Joback Calculated Property
Cp,gas 470.23 J/mol×K 788.43 Joback Calculated Property
Cp,gas 481.10 J/mol×K 827.21 Joback Calculated Property
Cp,gas 491.07 J/mol×K 865.99 Joback Calculated Property
Cp,gas 500.18 J/mol×K 904.77 Joback Calculated Property
Cp,gas 508.44 J/mol×K 943.55 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 433.20 K 1.00 NIST

Similar Compounds

Benzoic acid, 4-nitro-, pentyl ester. 4-Nitrobenzoic acid, hexyl ester. 4-Nitrobenzoic acid, dodecyl ester. Benzoic acid, 4-nitro-, octyl ester. 4-Nitrobenzoic acid, heptyl ester. 4-Nitrobenzoic acid, nonyl ester. 4-Nitrobenzoic acid, undecyl ester. 4-Nitrobenzoic acid, decyl ester. 1-Butanol, 3-methyl-, 4-nitrobenzoate. Benzoic acid, 4-nitro, 4-pentenyl ester. p-Nitrobenzoic acid, n-propyl ester. Butyl 3-nitrobenzoate. 4-Nitrobenzoic acid, 2-pentyl ester. 4-Nitrobenzoic acid, 2-butyl ester. Terephthalic acid, butyl 4-nitrobenzyl ester.

Find more compounds similar to n-Butyl 4-nitrobenzoate.

Sources

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