Chemical Properties of Butyl 3-nitrobenzoate (CAS 6268-25-3)

Butyl 3-nitrobenzoate

PDF Excel Molecule Calculator
InChI
InChI=1S/C11H13NO4/c1-2-3-7-16-11(13)9-5-4-6-10(8-9)12(14)15/h4-6,8H,2-3,7H2,1H3
InChI Key
ZJNPXOPNHRBFIP-UHFFFAOYSA-N
Formula
C11H13NO4
SMILES
CCCCOC(=O)c1cccc([N+](=O)[O-])c1
Molecular Weight1
223.23
CAS
6268-25-3
Other Names
  • Benzoic acid, 3-nitro-, butyl ester
  • n-Butyl 3-nitrobenzoate
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
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 1766.00 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

Similar Compounds

butyl 3,5-dinitrobenzoate. pentyl 3,5-dinitrobenzoate. hexyl 3,5-dinitrobenzoate. undecyl 3,5-dinitrobenzoate. heptyl 3,5-dinitrobenzoate. nonyl 3,5-dinitrobenzoate. octyl 3,5-dinitrobenzoate. dodecyl 3,5-dinitrobenzoate. decyl 3,5-dinitrobenzoate. n-Butyl 4-nitrobenzoate. Pent-4-enyl 3,5-dinitrobenzoate. Isopentyl 3,5-dinitrobenzoate. Benzoic acid, 4-nitro-, pentyl ester. 4-Nitrobenzoic acid, hexyl ester. 8-Chlorooctyl 3,5-dinitrobenzoate.

Find more compounds similar to Butyl 3-nitrobenzoate.

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.