Chemical Properties of 3-Hydroxy-6-nitro-2-benzofuran-1(3h)-one (CAS 77619-93-3)

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
CAS
77619-93-3
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Physical Properties

Property Value Unit Source
ω 0.7437 Relay (1.0) Calculated Property
ΔfG° -139.60 kJ/mol Joback Calculated Property
ΔfH°gas -452.72 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.81 kJ/mol Joback Calculated Property
ΔvapH° 100.71 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
Pc 4924.59 kPa Joback Calculated Property
Tboil 574.13 K Relay (1.0) Calculated Property
Tc 905.58 K Relay (1.0) Calculated Property
Tfus 418.33 K Relay (1.0) Calculated Property
Vc 0.450 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [331.63; 372.10] J/mol×K [764.61; 1011.53] Show Hide
Cp,gas 331.63 J/mol×K 764.61 Joback Calculated Property
Cp,gas 340.13 J/mol×K 805.76 Joback Calculated Property
Cp,gas 347.89 J/mol×K 846.92 Joback Calculated Property
Cp,gas 354.94 J/mol×K 888.07 Joback Calculated Property
Cp,gas 361.30 J/mol×K 929.22 Joback Calculated Property
Cp,gas 367.02 J/mol×K 970.38 Joback Calculated Property
Cp,gas 372.10 J/mol×K 1011.53 Joback Calculated Property

Similar Compounds

6-nitro-3H-2-benzofuran-1-one. N-Acetylnornarcotine. Cytosine arabinoside, methyl-TMS derivative. 5-Hydroxytryptophan, methyl, 3-PFP. Cytosine arabinoside, dimethyl-propyldimethylsilyl derivative. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. Oxymorphone. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Quinine, trimethylsilyl ether. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Oxycodone.

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

Sources

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