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
ΔfH°gas -452.72 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.89 kJ/mol Joback Calculated Property
ΔvapH° 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [165.39; 356.64] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.35000e+01
Coefficient B8.14560e-01
Coefficient C-6.35720e-04
Coefficient D1.91300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 165.39 J/mol×K 273.00 Calculated Property
Cp,gas 203.58 J/mol×K 353.78 Calculated Property
Cp,gas 236.12 J/mol×K 434.56 Calculated Property
Cp,gas 263.62 J/mol×K 515.33 Calculated Property
Cp,gas 286.69 J/mol×K 596.11 Calculated Property
Cp,gas 305.92 J/mol×K 676.89 Calculated Property
Cp,gas 321.93 J/mol×K 757.67 Calculated Property
Cp,gas 335.31 J/mol×K 838.44 Calculated Property
Cp,gas 346.68 J/mol×K 919.22 Calculated Property
Cp,gas 356.64 J/mol×K 1000.00 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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