Chemical Properties of 1,4-Naphthalenedione, 5,8-dihydroxy- (CAS 475-38-7)

InChI

InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H

InChI Key

RQNVIKXOOKXAJQ-UHFFFAOYSA-N

Formula

C10H6O4

SMILES

O=C1C=CC(=O)c2c(O)ccc(O)c21

Molecular Weight¹

190.15

CAS

475-38-7

Other Names

• 1,4-Naphthoquinone, 5,8-dihydroxy-
• 5,8-Dihydroxy-1,4-naphthalenedione
• 5,8-Dihydroxy-1,4-naphthoquinone
• 5,8-Dihydroxy-1,4-naphthosemiquinone
• 5,8-Dihydroxynaphthoquinone
• NSC 26647
• Naphthazarin
• Naphthazarine
• Naphthazarone

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[172.35; 400.33]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.43100e+01
Coefficient B			8.99800e-01
Coefficient C			-7.25560e-04
Coefficient D			2.50400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.35	J/mol×K	273.00	Calculated Property
Cp,gas	214.30	J/mol×K	353.78	Calculated Property
Cp,gas	250.24	J/mol×K	434.56	Calculated Property
Cp,gas	280.97	J/mol×K	515.33	Calculated Property
Cp,gas	307.29	J/mol×K	596.11	Calculated Property
Cp,gas	329.98	J/mol×K	676.89	Calculated Property
Cp,gas	349.83	J/mol×K	757.67	Calculated Property
Cp,gas	367.65	J/mol×K	838.44	Calculated Property
Cp,gas	384.22	J/mol×K	919.22	Calculated Property
Cp,gas	400.33	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Naphthalenedione, 5,8-dihydroxy-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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