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

Lapachol

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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δfus 25.67 kJ/mol Joback Calculated Property
logPoct/wat 3.234 Crippen Calculated Property
McVol 188.000 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 [548.18; 608.41] J/mol×K [831.12; 1064.52] Show Hide
Cp,gas 548.18 J/mol×K 831.12 Joback Calculated Property
Cp,gas 560.64 J/mol×K 870.02 Joback Calculated Property
Cp,gas 572.11 J/mol×K 908.92 Joback Calculated Property
Cp,gas 582.61 J/mol×K 947.82 Joback Calculated Property
Cp,gas 592.14 J/mol×K 986.72 Joback Calculated Property
Cp,gas 600.74 J/mol×K 1025.62 Joback Calculated Property
Cp,gas 608.41 J/mol×K 1064.52 Joback Calculated Property

Similar Compounds

Quinine. Quinidine. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. norbormide. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Tazettine. Tetrazepam M (hydroxy-), isomer 2, hydrolysis, acetylated. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 5'-S-Methyl-5'-thioadenosine, N,O,O'-tris(trifluoroacetyl)-. Thebaine. Xanthine riboside, TMS. Dehydrojaconine. Hydromorphone, trimethylsilyl ether. Ethylmorphine, trimethylsilyl ether.

Find more compounds similar to Lapachol.

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.