Chemical Properties of Methyl (3-nitrophenyl)acetate

Methyl (3-nitrophenyl)acetate

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InChI
InChI=1S/C9H9NO4/c1-14-9(11)6-7-3-2-4-8(5-7)10(12)13/h2-5H,6H2,1H3
InChI Key
BFGYITRIATVARH-UHFFFAOYSA-N
Formula
C9H9NO4
SMILES
COC(=O)Cc1cccc([N+](=O)[O-])c1
Molecular Weight1
195.17
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 1.310 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 0.537 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

Acetic acid, m-nitrophenyl-. Formic acid, 2-(3-nitrophenyl)ethyl ester. Benzeneethanol, 3-nitro-. Benzeneethanol, 3-nitro-, acetate (ester). 1-Ethyl-3-nitrobenzene. Glutaric acid, ethyl 3-nitrophenethyl ester. Glutaric acid, 3-nitrophenethyl propyl ester. 4-Hydroxy-3-nitrophenylacetic acid. Succinic acid, 2-(3-nitrophenyl)ethyl propyl ester. Sebacic acid, ethyl 2-(3-nitrophenyl)ethyl ester. Glutaric acid, butyl 3-nitrophenethyl ester. Sebacic acid, 2-(3-nitrophenyl)ethyl propyl ester. Glutaric acid, 3-nitrophenethyl pentyl ester. Benzeneacetonitrile, 3-nitro-. Glutaric acid, isobutyl 3-nitrophenethyl ester.

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