Chemical Properties of p-Nitrobenzoic acid, isobutyl ester (CAS 99-78-5)

p-Nitrobenzoic acid, isobutyl ester

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InChI
InChI=1S/C11H13NO4/c1-8(2)7-16-11(13)9-3-5-10(6-4-9)12(14)15/h3-6,8H,7H2,1-2H3
InChI Key
DCZWILGYHRWANR-UHFFFAOYSA-N
Formula
C11H13NO4
SMILES
CC(C)COC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
223.23
CAS
99-78-5
Other Names
  • Benzoic acid, p-nitro-, isobutyl ester
  • Benzoic acid, 4-nitro-, 2-methylpropyl ester
  • Isobutyl p-nitrobenzoate
  • 4-Nitrobenzoic acid, 2-methylpropyl ester
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Physical Properties

Property Value Unit Source
Δf -56.29 kJ/mol Joback Calculated Property
Δfgas -306.15 kJ/mol Joback Calculated Property
Δfus 28.52 kJ/mol Joback Calculated Property
Δvap 68.38 kJ/mol Joback Calculated Property
log10WS -3.38 Crippen Calculated Property
logPoct/wat 2.408 Crippen Calculated Property
McVol 166.950 ml/mol McGowan Calculated Property
Pc 2793.56 kPa Joback Calculated Property
Inp [1649.00; 1671.00]   Show Hide
Inp 1653.00 NIST
Inp 1657.00 NIST
Inp 1671.00 NIST
Inp 1649.00 NIST
I [2395.00; 2454.00]   Show Hide
I 2409.00 NIST
I 2424.00 NIST
I 2454.00 NIST
I 2395.00 NIST
Tboil 710.43 K Joback Calculated Property
Tc 947.65 K Joback Calculated Property
Tfus 453.44 K Joback Calculated Property
Vc 0.643 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [446.27; 509.90] J/mol×K [710.43; 947.65] Show Hide
Cp,gas 446.27 J/mol×K 710.43 Joback Calculated Property
Cp,gas 459.28 J/mol×K 749.97 Joback Calculated Property
Cp,gas 471.29 J/mol×K 789.50 Joback Calculated Property
Cp,gas 482.33 J/mol×K 829.04 Joback Calculated Property
Cp,gas 492.43 J/mol×K 868.58 Joback Calculated Property
Cp,gas 501.61 J/mol×K 908.12 Joback Calculated Property
Cp,gas 509.90 J/mol×K 947.65 Joback Calculated Property

Similar Compounds

p-Nitrobenzoic acid, n-propyl ester. Isobutamben. n-Butyl 4-nitrobenzoate. Terephthalic acid, isobutyl 4-nitrobenzyl ester. Benzoic acid, 4-nitro, 1,2-dimethylpropyl ester. Benzoic acid, 4-nitro-, ethyl ester. Benzoic acid, 4-nitro, 3-butenyl ester. 1-Butanol, 3-methyl-, 4-nitrobenzoate. 4-Nitrobenzoic acid, 2-butyl ester. Benzoic acid, 4-nitro-, pentyl ester. 4-Nitrobenzoic acid, hexyl ester. 4-Nitrobenzoic acid, dodecyl ester. 4-Nitrobenzoic acid, undecyl ester. 4-Nitrobenzoic acid, heptyl ester. Benzoic acid, 4-nitro-, octyl ester.

Find more compounds similar to p-Nitrobenzoic acid, isobutyl ester.

Sources

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