Chemical Properties of 3-Nitroalizarine (CAS 568-93-4)

3-Nitroalizarine

InChI
InChI=1S/C14H7NO6/c16-11-6-3-1-2-4-7(6)12(17)10-8(11)5-9(15(20)21)13(18)14(10)19/h1-5,18-19H
InChI Key
XZSUEVFAMOKROK-UHFFFAOYSA-N
Formula
C14H7NO6
SMILES
O=C1c2ccccc2C(=O)c2c1cc([N+](=O)[O-])c(O)c2O
Molecular Weight1
285.21
CAS
568-93-4
Other Names
  • 1,2-dihydroxy-3-nitroanthraquinone
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Physical Properties

Property Value Unit Source
ω 0.9745 Relay (1.0) Calculated Property
ΔfG° -175.38 kJ/mol Joback Calculated Property
ΔfH°gas -435.88 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.04 kJ/mol Joback Calculated Property
ΔvapH° 127.56 kJ/mol Relay (1.0) Calculated Property
IE 9.04 eV Relay (1.0) Calculated Property
log10WS -3.76 Relay (1.0) Calculated Property
logPoct/wat 1.781 Crippen Calculated Property
McVol 182.040 ml/mol McGowan Calculated Property
Pc 4910.80 kPa Joback Calculated Property
Tboil 649.16 K Relay (1.0) Calculated Property
Tc 1097.72 K Relay (1.0) Calculated Property
Tfus 493.52 K Relay (1.0) Calculated Property
Vc 0.645 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [567.34; 658.88] J/mol×K [1043.88; 1339.00] Show Hide
Cp,gas 567.34 J/mol×K 1043.88 Joback Calculated Property
Cp,gas 580.31 J/mol×K 1093.07 Joback Calculated Property
Cp,gas 593.86 J/mol×K 1142.25 Joback Calculated Property
Cp,gas 608.24 J/mol×K 1191.44 Joback Calculated Property
Cp,gas 623.71 J/mol×K 1240.63 Joback Calculated Property
Cp,gas 640.51 J/mol×K 1289.81 Joback Calculated Property
Cp,gas 658.88 J/mol×K 1339.00 Joback Calculated Property

Similar Compounds

Tetrabenazine M (bis-desmethyl-HO-), diacetylated. Tetrabenazine M (bis-desmethyl-), monoacetylated. Mirtazapine-M (HO-) AC. Mirtazapine-M (nor-HO-) 2AC. Mirtazapine-M (nor-HO-methoxy-) 2AC. 12-O-Methylcarnosol. Estra-1,3,5(10)-trien-17-one, 1-methyl-3,6,7-tris[(trifluoroacetyl)oxy]-, (6«alpha»,7«alpha»)-. Methoxyoestrone (enol)-TMS. Glyburide. Oxymorphone. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-. cyclomegistine. Oxycodone. ethyl eburnamenine-14-carboxylate. Tetrabenazine M (desmethyl-HO-), monoacetylated.

Find more compounds similar to 3-Nitroalizarine.

Sources

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