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

• 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).
• 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

• Crippen Method
• Crippen Method
• 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.