Chemical Properties of 2,7-Dinitro-9H-xanthen-9-one (CAS 51792-18-8)

InChI

InChI=1S/C13H6N2O6/c16-13-9-5-7(14(17)18)1-3-11(9)21-12-4-2-8(15(19)20)6-10(12)13/h1-6H

InChI Key

XMSWUZGXFRVEHY-UHFFFAOYSA-N

Formula

C13H6N2O6

SMILES

O=c1c2cc([N+](=O)[O-])ccc2oc2ccc([N+](=O)[O-])cc12

Molecular Weight¹

286.20

CAS

51792-18-8

Other Names

• 2,7-Dinitroxanthone

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 2,7-Dinitro-9H-xanthen-9-one.

Sources

• Cheméo Relay (1.0)
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• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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