Chemical Properties of Formic acid, (3-methyl-2-nitrophenyl)methyl ester

Formic acid, (3-methyl-2-nitrophenyl)methyl ester

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

Property Value Unit Source
ΔfH°gas -246.31 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.17 kJ/mol Joback Calculated Property
ΔvapH° 75.00 kJ/mol Relay (1.0) Calculated Property
IE 9.49 eV Relay (1.0) Calculated Property
logPoct/wat 1.576 Crippen Calculated Property
McVol 138.770 ml/mol McGowan Calculated Property
Inp [1514.00; 1514.00]   Show Hide
Inp 1514.00 NIST
Inp 1514.00 NIST
Tfus 295.82 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 [345.52; 399.98] J/mol×K [664.88; 902.91] Show Hide
Cp,gas 345.52 J/mol×K 664.88 Joback Calculated Property
Cp,gas 356.53 J/mol×K 704.55 Joback Calculated Property
Cp,gas 366.74 J/mol×K 744.22 Joback Calculated Property
Cp,gas 376.18 J/mol×K 783.89 Joback Calculated Property
Cp,gas 384.86 J/mol×K 823.56 Joback Calculated Property
Cp,gas 392.79 J/mol×K 863.24 Joback Calculated Property
Cp,gas 399.98 J/mol×K 902.91 Joback Calculated Property

Similar Compounds

Acetic acid, (3-methyl-2-nitrophenyl)methyl ester. Benzoic acid, (3-methyl-2-nitrophenyl)methyl ester. Succinic acid, di(3-methyl-2-nitrobenzyl) ester. Succinic acid, ethyl 3-methyl-2-nitrobenzyl ester. Glutaric acid, di(3-methyl-2-nitrobenzyl) ester. Formic acid, (3-methyl-4-nitrophenyl)methyl ester. Glutaric acid, ethyl 3-methyl-2-nitrobenzyl ester. Sebacic acid, ethyl 3-methyl-2-nitrobenzyl ester. Glutaric acid, 3-methyl-2-nitrobenzyl propyl ester. Succinic acid, isobutyl 3-methyl-2-nitrobenzyl ester. 3-Methyl-2-nitrobenzyl alcohol, bromomethyldimethylsilyl ether. Succinic acid, butyl 3-methyl-2-nitrobenzyl ester. Terephthalic acid, ethyl 2-nitrobenzyl ester. Glutaric acid, butyl 3-methyl-2-nitrobenzyl ester. Formic acid, (4-methyl-3-nitrophenyl)methyl ester.

Find more compounds similar to Formic acid, (3-methyl-2-nitrophenyl)methyl ester.

Sources

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