Chemical Properties of Lapachol (CAS 84-79-7)

InChI

InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3

InChI Key

CIEYTVIYYGTCCI-UHFFFAOYSA-N

Formula

C15H14O3

SMILES

CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O

Molecular Weight¹

242.27

CAS

84-79-7

Other Names

• 1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)-
• 1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-2-butenyl)-
• Bethabarra Wood
• C.I. Natural Yellow 16
• C.I. 75490
• Greenhartin
• Ipe-Tobacco Wood
• Lapachol Wood
• NSC 11905
• Surinam Greenheart Wood
• Taigu Wood
• Taiguic acid
• Tecomin
• 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone
• Greenharten
• 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthalenedione
• Lapachic acid
• Zlut prirodni 16
• NSC 629756
• 2-hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone

• ω : Acentric Factor.
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[548.11; 608.36]	J/mol×K	[830.92; 1064.27]
Cp,gas	548.11	J/mol×K	830.92	Joback Calculated Property
Cp,gas	560.58	J/mol×K	869.81	Joback Calculated Property
Cp,gas	572.05	J/mol×K	908.70	Joback Calculated Property
Cp,gas	582.55	J/mol×K	947.59	Joback Calculated Property
Cp,gas	592.09	J/mol×K	986.48	Joback Calculated Property
Cp,gas	600.69	J/mol×K	1025.38	Joback Calculated Property
Cp,gas	608.36	J/mol×K	1064.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Lapachol.

Sources

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

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