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
ΔfH°gas -435.88 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.04 kJ/mol Joback Calculated Property
ΔvapH° 127.47 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
Tboil 649.16 K Relay (1.0) Calculated Property
Tfus 508.18 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 [567.39; 658.98] J/mol×K [1044.08; 1339.26] Show Hide
Cp,gas 567.39 J/mol×K 1044.08 Joback Calculated Property
Cp,gas 580.36 J/mol×K 1093.28 Joback Calculated Property
Cp,gas 593.92 J/mol×K 1142.47 Joback Calculated Property
Cp,gas 608.31 J/mol×K 1191.67 Joback Calculated Property
Cp,gas 623.79 J/mol×K 1240.87 Joback Calculated Property
Cp,gas 640.59 J/mol×K 1290.06 Joback Calculated Property
Cp,gas 658.98 J/mol×K 1339.26 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to 3-Nitroalizarine.

Sources

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