Chemical Properties of Benzenebutanoic acid, 4-nitro-, methyl ester (CAS 20637-02-9)

Benzenebutanoic acid, 4-nitro-, methyl ester

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InChI
InChI=1S/C11H13NO4/c1-16-11(13)4-2-3-9-5-7-10(8-6-9)12(14)15/h5-8H,2-4H2,1H3
InChI Key
IIDUVWAKHMUVPN-UHFFFAOYSA-N
Formula
C11H13NO4
SMILES
COC(=O)CCCc1ccc([N+](=O)[O-])cc1
Molecular Weight1
223.23
CAS
20637-02-9
Other Names
  • Butyric acid, 4-(p-nitrophenyl)-, methyl ester
  • Methyl 4-(4-nitrophenyl)butanoate
  • 4-(4-Nitrophenyl)butanoic acid methyl ester

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
IE [8.90; 9.30] eV Show Hide
IE 9.30 ± 0.20 eV NIST
IE 8.90 ± 0.30 eV NIST
log10WS -3.04 Crippen Calculated Property
logPoct/wat 2.091 Crippen Calculated Property
McVol 166.950 ml/mol McGowan 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 0.649 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

Similar Compounds

4-(4-Nitrophenyl)butyric acid. Benzenebutanoic acid, 4-amino-, methyl ester. Benzene, 1-butyl-4-nitro-. Butyric acid, 4-(p-fluorophenyl)-, methyl ester. Benzenebutanoic acid, methyl ester. Benzenebutanoic acid, 4-hydroxy-, methyl ester. Benzenebutanoic acid, 4-methoxy-, methyl ester. 4-(4-Cyanophenyl)butanoic acid methyl ester. 4-(4-Phenoxyphenyl)butanoic acid methyl ester. Butyric acid, 4-phenyl-, butyl ester. Methyl 4-(3,4-methylenedioxyphenyl)butanoate. Butyric acid, 4-phenyl-, pentyl ester. 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane. Butyric acid, 4-phenyl-, hexyl ester. Butyric acid, 4-phenyl-, isobutyl ester.

Find more compounds similar to Benzenebutanoic acid, 4-nitro-, methyl ester.

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