Chemical Properties of Benzoic acid, (5-chloro-2-nitrophenyl)methyl ester

Benzoic acid, (5-chloro-2-nitrophenyl)methyl ester

InChI
InChI=1S/C14H10ClNO4/c15-12-6-7-13(16(18)19)11(8-12)9-20-14(17)10-4-2-1-3-5-10/h1-8H,9H2
InChI Key
WFYWOWKKUMXBHG-UHFFFAOYSA-N
Formula
C14H10ClNO4
SMILES
O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1
Molecular Weight1
291.69
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Physical Properties

Property Value Unit Source
ΔfusH° 39.25 kJ/mol Joback Calculated Property
logPoct/wat 3.605 Crippen Calculated Property
McVol 197.700 ml/mol McGowan Calculated Property
Inp 2360.00 NIST
Tboil 630.43 K Relay (1.0) Calculated Property
Tfus 322.45 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [526.45; 572.93] J/mol×K [830.73; 1093.18] Show Hide
Cp,gas 526.45 J/mol×K 830.73 Joback Calculated Property
Cp,gas 537.17 J/mol×K 874.47 Joback Calculated Property
Cp,gas 546.62 J/mol×K 918.21 Joback Calculated Property
Cp,gas 554.85 J/mol×K 961.95 Joback Calculated Property
Cp,gas 561.94 J/mol×K 1005.69 Joback Calculated Property
Cp,gas 567.94 J/mol×K 1049.43 Joback Calculated Property
Cp,gas 572.93 J/mol×K 1093.18 Joback Calculated Property

Similar Compounds

5-Chloro-2-nitrobenzyl alcohol, chlorodifluoroacetate. Acetic acid, (5-chloro-2-nitrophenyl)methyl ester. Terephthalic acid, ethyl 2-nitrobenzyl ester. Terephthalic acid, 2-nitrobenzyl propyl ester. Benzoic acid, (4-methyl-3-nitrophenyl)methyl ester. Benzoic acid, (2-chloro-5-nitrophenyl)methyl ester. Terephthalic acid, butyl 2-nitrobenzyl ester. Terephthalic acid, 2-nitrobenzyl pentyl ester. Benzoic acid, (3-methyl-2-nitrophenyl)methyl ester. Pimelic acid, 5-chloro-2-nitrobenzyl ethyl ester. Benzoic acid, (3-methyl-4-nitrophenyl)methyl ester. Phthalic acid, ethyl 4-methyl-3-nitrobenzyl ester. Pimelic acid, 5-chloro-2-nitrobenzyl propyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl propyl ester. Terephthalic acid, 3-nitro-4-methylbenzyl propyl ester.

Find more compounds similar to Benzoic acid, (5-chloro-2-nitrophenyl)methyl ester.

Sources

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