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

Benzenebutanoic acid, 4-nitro-, methyl ester

PDF Excel Molecule Calculator
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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.