Chemical Properties of Ethyl 4-nitrobenzoate (CAS 99-77-4)

Ethyl 4-nitrobenzoate

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3
InChI Key
PHWSCBWNPZDYRI-UHFFFAOYSA-N
Formula
C9H9NO4
SMILES
CCOC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
195.17
CAS
99-77-4
Other Names
  • 4-(Ethoxycarbonyl)nitrobenzene
  • 4-Nitrobenzoic acid ethyl ester
  • Benzoic acid, p-nitro-, ethyl ester
  • Ethyl 4-nitrobenzoate
  • Ethyl nitrobenzoate, para ester
  • Ethyl p-nitrobenzoate
  • Ethyl para-nitrobenzoate
  • NSC 6763
  • p-Nitrobenzoic acid, ethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -70.69 kJ/mol Joback Calculated Property
Δfgas -259.59 kJ/mol Joback Calculated Property
Δfus 26.87 kJ/mol Joback Calculated Property
Δvap 64.31 kJ/mol Joback Calculated Property
logPoct/wat 1.77 Crippen Calculated Property
Pc 3427.87 kPa Joback Calculated Property
Tboil 665.11 K Joback Calculated Property
Tc 907.46 K Joback Calculated Property
Tfus 445.90 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 345.96 J/mol×K 665.11 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 1
-CH3 1

Similar Compounds

Benzoic acid, 4-nitro, allyl ester. Benzoic acid, 4-nitro-, 1-methylethyl ester. P-nitrobenzoic acid, n-propyl ester. Benzoic acid, 4-nitro, 2-propynyl ester. Ethanol, 2-chloro, 4-nitrobenzoate. Benzoic acid, 4-nitro, (E)-2-butenyl ester. Benzoic acid, 4-nitro-, methyl ester. Methyl p-nitro benzoate. 4-Nitrobenzoic acid, 3-chloroprop-2-enyl ester. P-nitrobenzoic acid, isobutyl ester. 4-Nitrobenzoic acid, 3-methylbut-2-enyl ester. Benzoic acid, 4-nitro, 3-butenyl ester. n-Butyl 4-nitrobenzoate. Benzoic acid, 4-nitro, 2,2-dichloroethyl ester. 4-Nitrobenzoic acid, pent-2-en-4-ynyl ester.

Find more compounds similar to Ethyl 4-nitrobenzoate.

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.