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
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Physical Properties

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

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [248.40; 595.18] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A9.00100e+00
Coefficient B1.00054e+00
Coefficient C-4.67260e-04
Coefficient D5.29000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 248.40 J/mol×K 273.00 Calculated Property
Cp,gas 306.83 J/mol×K 353.78 Calculated Property
Cp,gas 359.90 J/mol×K 434.56 Calculated Property
Cp,gas 407.76 J/mol×K 515.33 Calculated Property
Cp,gas 450.60 J/mol×K 596.11 Calculated Property
Cp,gas 488.57 J/mol×K 676.89 Calculated Property
Cp,gas 521.85 J/mol×K 757.67 Calculated Property
Cp,gas 550.60 J/mol×K 838.44 Calculated Property
Cp,gas 574.99 J/mol×K 919.22 Calculated Property
Cp,gas 595.18 J/mol×K 1000.00 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

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