Chemical Properties of Juglone (CAS 481-39-0)

InChI

InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H

InChI Key

KQPYUDDGWXQXHS-UHFFFAOYSA-N

Formula

C10H6O3

SMILES

O=C1C=CC(=O)c2c(O)cccc21

Molecular Weight¹

174.15

CAS

481-39-0

Other Names

• 1,4-Dihydro-1,4-dioxo-5-hydroxynaphthalene
• 1,4-Naphthalenedione, 5-hydroxy-
• 1,4-Naphthoquinone, 5-hydroxy-
• 1,4-Naphthoquinone, 8-hydroxy-
• 5-Hydroxy-1,4-naftochinon
• 5-Hydroxy-1,4-naphthalenedione
• 5-Hydroxy-p-naphthoquinone
• 5-Hydroxynaphthoquinone
• 5-hydroxy-1,4-naphthoquinone
• 5-hydroxynaphthalene-1,4-dione
• 8-Hydroxy-1,4-naphthalenedione
• 8-Hydroxy-1,4-naphthoquinone
• Akhnot
• C.I. 75500
• C.I. Natural Brown 7
• Iuglon
• Juglane
• Juglon
• Jugnlon
• NCI 2323
• NSC 153189
• NSC 622948
• Nucin
• Regianin
• Walnut Extract
• Yuglon

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 standard conditions (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

Property	Value	Unit	Source
ΔfG°	-177.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-332.62	kJ/mol	Joback Calculated Property
ΔfusH°	16.30	kJ/mol	Joback Calculated Property
ΔvapH°	62.99	kJ/mol	Joback Calculated Property
IE	[8.60; 8.85]	eV
IE	8.60	eV	NIST
IE	8.70 ± 0.02	eV	NIST
IE	8.85	eV	NIST
log10WS	-2.09		Crippen Calculated Property
logPoct/wat	1.327		Crippen Calculated Property
McVol	121.850	ml/mol	McGowan Calculated Property
Pc	4966.33	kPa	Joback Calculated Property
Tboil	690.96	K	Joback Calculated Property
Tc	965.28	K	Joback Calculated Property
Tfus	508.98	K	Joback Calculated Property
Vc	0.404	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.20; 372.25]	J/mol×K	[690.96; 965.28]
Cp,gas	314.20	J/mol×K	690.96	Joback Calculated Property
Cp,gas	325.85	J/mol×K	736.68	Joback Calculated Property
Cp,gas	336.61	J/mol×K	782.40	Joback Calculated Property
Cp,gas	346.57	J/mol×K	828.12	Joback Calculated Property
Cp,gas	355.79	J/mol×K	873.84	Joback Calculated Property
Cp,gas	364.32	J/mol×K	919.56	Joback Calculated Property
Cp,gas	372.25	J/mol×K	965.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Juglone.

Mixtures

• Carbon dioxide + Juglone

Sources

• Crippen Method
• Crippen Method
• Measurement and correlation of the solubility of juglone in supercritical carbon dioxide
• Joback Method
• McGowan Method
• NIST Webbook

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