Chemical Properties of 1,4-Naphthalenedione, 2,5,8-trihydroxy- (CAS 13379-22-1)

InChI

InChI=1S/C10H6O5/c11-4-1-2-5(12)9-8(4)6(13)3-7(14)10(9)15/h1-3,11-12,14H

InChI Key

ZFXYVCPRQYVJDR-UHFFFAOYSA-N

Formula

C10H6O5

SMILES

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

Molecular Weight¹

206.15

CAS

13379-22-1

Other Names

• 1,4-Naphthoquinone, 2,5,8-trihydroxy-
• Naphthopurpurin

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[389.16; 441.49]	J/mol×K	[868.74; 1122.77]
Cp,gas	389.16	J/mol×K	868.74	Joback Calculated Property
Cp,gas	397.93	J/mol×K	911.08	Joback Calculated Property
Cp,gas	406.55	J/mol×K	953.42	Joback Calculated Property
Cp,gas	415.10	J/mol×K	995.75	Joback Calculated Property
Cp,gas	423.71	J/mol×K	1038.09	Joback Calculated Property
Cp,gas	432.47	J/mol×K	1080.43	Joback Calculated Property
Cp,gas	441.49	J/mol×K	1122.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Naphthalenedione, 2,5,8-trihydroxy-.

Sources

• Cheméo Relay (1.0)
• 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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