Chemical Properties of 1,4-Naphthalenedione, 5-hydroxy-2-methyl-

InChI

InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3

InChI Key

VCMMXZQDRFWYSE-UHFFFAOYSA-N

Formula

C11H8O3

SMILES

CC1=CC(=O)c2c(O)cccc2C1=O

Molecular Weight¹

188.18

Other Names

• 1,4-Naphthoquinone, 5-hydroxy-2-methyl-
• 2-Methyl-5-hydroxy-1,4-naphthoquinone
• 2-Methyljuglone
• 5-hydroxy-2-methyl-1,4-naphthalenedione
• 5-hydroxy-2-methyl-1,4-naphthoquinone
• NSC 236613
• NSC 688284
• Plumbaein
• Plumbagine
• Plumbagone
• plumbagin

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-342.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.50	kJ/mol	Joback Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-2.98		Relay (1.0) Calculated Property
logPoct/wat	1.718		Crippen Calculated Property
McVol	135.940	ml/mol	McGowan Calculated Property
Inp	[1600.00; 1600.00]
Inp	1600.00		NIST
Inp	1600.00		NIST
Tfus	405.66	K	Relay (1.0) Calculated Property

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 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	[362.03; 424.10]	J/mol×K	[718.82; 987.06]
Cp,gas	362.03	J/mol×K	718.82	Joback Calculated Property
Cp,gas	374.36	J/mol×K	763.53	Joback Calculated Property
Cp,gas	385.83	J/mol×K	808.23	Joback Calculated Property
Cp,gas	396.48	J/mol×K	852.94	Joback Calculated Property
Cp,gas	406.37	J/mol×K	897.65	Joback Calculated Property
Cp,gas	415.56	J/mol×K	942.36	Joback Calculated Property
Cp,gas	424.10	J/mol×K	987.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Naphthalenedione, 5-hydroxy-2-methyl-.

Mixtures

• Carbon dioxide + 1,4-Naphthalenedione, 5-hydroxy-2-methyl-

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
• Measurement and Correlation of 1,4-Naphthoquinone and of Plumbagin Solubilities in Supercritical Carbon Dioxide
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.