Chemical Properties of 3-Hydroxy-6-nitro-2-benzofuran-1(3h)-one

3-Hydroxy-6-nitro-2-benzofuran-1(3h)-one

InChI
InChI=1S/C8H5NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3,7,10H
InChI Key
WUQPXBMPKNIUCE-UHFFFAOYSA-N
Formula
C8H5NO5
SMILES
O=C1OC(O)c2ccc([N+](=O)[O-])cc21
Molecular Weight1
195.13
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Physical Properties

Property Value Unit Source
Δfgas -452.72 kJ/mol Relay (1.0) Calculated Property
Δfus 31.89 kJ/mol Joback Calculated Property
Δvap 100.86 kJ/mol Relay (1.0) Calculated Property
IE 10.24 eV Relay (1.0) Calculated Property
log10WS -1.94 Relay (1.0) Calculated Property
logPoct/wat 0.756 Crippen Calculated Property
McVol 119.690 ml/mol McGowan Calculated Property
Tboil 574.13 K Relay (1.0) Calculated Property
Tfus 427.36 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 [314.77; 350.13] J/mol×K [719.72; 946.15] Show Hide
Cp,gas 314.77 J/mol×K 719.72 Joback Calculated Property
Cp,gas 321.89 J/mol×K 757.46 Joback Calculated Property
Cp,gas 328.44 J/mol×K 795.20 Joback Calculated Property
Cp,gas 334.47 J/mol×K 832.93 Joback Calculated Property
Cp,gas 340.06 J/mol×K 870.67 Joback Calculated Property
Cp,gas 345.26 J/mol×K 908.41 Joback Calculated Property
Cp,gas 350.13 J/mol×K 946.15 Joback Calculated Property

Similar Compounds

6-nitro-3H-2-benzofuran-1-one. Cytosine arabinoside, dimethyl-propyldimethylsilyl derivative. N-Acetylnornarcotine. 5-Hydroxytryptophan, methyl, 3-PFP. Cytosine arabinoside, methyl-TMS derivative. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. Cytidine, N-acetyl-. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Yohimbine. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. ethyl eburnamenine-14-carboxylate. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-. Noscapine.

Find more compounds similar to 3-Hydroxy-6-nitro-2-benzofuran-1(3h)-one.

Sources

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