Chemical Properties of Methyl 2,6-dimethoxy-3-nitrobenzoic acid

Methyl 2,6-dimethoxy-3-nitrobenzoic acid

InChI
InChI=1S/C10H11NO6/c1-15-7-5-4-6(11(13)14)9(16-2)8(7)10(12)17-3/h4-5H,1-3H3
InChI Key
HVVQDBFINNUQBK-UHFFFAOYSA-N
Formula
C10H11NO6
SMILES
COC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC
Molecular Weight1
241.20
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Physical Properties

Property Value Unit Source
ΔfH°gas -554.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.05 kJ/mol Joback Calculated Property
ΔvapH° 84.12 kJ/mol Relay (1.0) Calculated Property
IE 8.74 eV Relay (1.0) Calculated Property
log10WS -2.90 Relay (1.0) Calculated Property
logPoct/wat 1.399 Crippen Calculated Property
McVol 164.600 ml/mol McGowan Calculated Property
Tboil 582.20 K Relay (1.0) Calculated Property
Tfus 353.09 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 [440.21; 494.64] J/mol×K [742.79; 975.03] Show Hide
Cp,gas 440.21 J/mol×K 742.79 Joback Calculated Property
Cp,gas 451.64 J/mol×K 781.50 Joback Calculated Property
Cp,gas 462.17 J/mol×K 820.20 Joback Calculated Property
Cp,gas 471.77 J/mol×K 858.91 Joback Calculated Property
Cp,gas 480.40 J/mol×K 897.61 Joback Calculated Property
Cp,gas 488.04 J/mol×K 936.32 Joback Calculated Property
Cp,gas 494.64 J/mol×K 975.03 Joback Calculated Property

Similar Compounds

Alizarin Yellow GG, O,O'-dimethyl-. Mordant Orange 1, O,O'-dimethyl-. o-Methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester. Nomifensine M(HO), diacetylated, isomer # 1. Cinchonidine. Cinchonine. Nomifensine M(HO-methoxy), diacetylated. Cytidine, methyl-TMS derivative. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3-methoxy, methylboronate. Nomifemsine M(HO), diacetylated, isomer # 2. Nefazodone. Quinine, trimethylsilyl ether. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. cyclomegistine.

Find more compounds similar to Methyl 2,6-dimethoxy-3-nitrobenzoic acid.

Sources

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