Chemical Properties of Benzoic acid, 4-nitro-, phenylmethyl ester (CAS 14786-27-7)

Benzoic acid, 4-nitro-, phenylmethyl ester

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

InChI
InChI=1S/C14H11NO4/c16-14(19-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(17)18/h1-9H,10H2
InChI Key
XCQFGJYVKKCUFX-UHFFFAOYSA-N
Formula
C14H11NO4
SMILES
O=C(OCc1ccccc1)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
257.24
CAS
14786-27-7
Other Names
  • 4-Nitrobenzoic acid, benzyl ester
  • Benzoic acid, 4-nitro, benzyl ester
  • Benzoic acid, p-nitro-, benzyl ester
  • Benzyl 4-nitrobenzoate
  • Benzyl p-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf 83.82 kJ/mol Joback Calculated Property
Δfgas -126.26 kJ/mol Joback Calculated Property
Δfus 33.86 kJ/mol Joback Calculated Property
Δvap 77.72 kJ/mol Joback Calculated Property
logPoct/wat 2.95 Crippen Calculated Property
Pc 2899.85 kPa Joback Calculated Property
Tboil 806.19 K Joback Calculated Property
Tc 1067.65 K Joback Calculated Property
Tfus 528.67 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 510.55 J/mol×K 806.19 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH- (ring) 9
-NO2 1
=C< (ring) 3
-CH2- 1
>C=O (nonring) 1

Similar Compounds

Benzoic acid, 4-nitro-, methyl ester. Methyl p-nitro benzoate. Ethyl 4-nitrobenzoate. Benzoic acid, 4-nitro, 1-phenylethyl ester. Benzoic acid, 4-nitro, allyl ester. Benzoic acid, 4-nitro-, 1-methylethyl ester. Terephthalic acid, isobutyl 4-nitrobenzyl ester. Ethanol, 2-chloro, 4-nitrobenzoate. P-nitrobenzoic acid, n-propyl ester. Terephthalic acid, butyl 4-nitrobenzyl ester. Benzoic acid, 4-nitro-. Benzoic acid, 4-nitro, 2-propynyl ester. Benzoic acid, 4-nitro, (E)-2-butenyl ester. 4-Nitrobenzoic acid, 3-methylbut-2-enyl ester. 4-Nitrobenzoic acid, 3-chloroprop-2-enyl ester.

Find more compounds similar to Benzoic acid, 4-nitro-, phenylmethyl ester.

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.