Chemical Properties of Costunolide (CAS 553-21-9)

Costunolide

InChI
InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5-,11-9-
InChI Key
HRYLQFBHBWLLLL-GYIATTAWSA-N
Formula
C15H20O2
SMILES
C=C1C(=O)OC2C=C(C)CCC=C(C)CCC12
Molecular Weight1
232.32
CAS
553-21-9
Other Names
  • Germacra-1(10),4,11(13)-trien-12-oic acid, 6«alpha»-hydroxy-, «gamma»-lactone, (E,E)-
  • Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-, [3aS-(3aR*,6E,10E,11aS*)]-
  • Costunolid
  • Costus lactone
  • (E,E)-6-«alpha»-Hydroxygermacra-1(10),4,11(13)-trien-12-oic acid «gamma»-lactone
  • 6,10-Dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one-, (3aS,6E,10E,11aR)-
  • NSC 106404
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Physical Properties

Property Value Unit Source
ΔfusH° 24.17 kJ/mol Joback Calculated Property
logPoct/wat 3.551 Crippen Calculated Property
McVol 195.030 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 [560.07; 664.71] J/mol×K [688.18; 932.76] Show Hide
Cp,gas 560.07 J/mol×K 688.18 Joback Calculated Property
Cp,gas 581.51 J/mol×K 728.94 Joback Calculated Property
Cp,gas 601.37 J/mol×K 769.71 Joback Calculated Property
Cp,gas 619.64 J/mol×K 810.47 Joback Calculated Property
Cp,gas 636.29 J/mol×K 851.23 Joback Calculated Property
Cp,gas 651.32 J/mol×K 892.00 Joback Calculated Property
Cp,gas 664.71 J/mol×K 932.76 Joback Calculated Property

Similar Compounds

HANPHYLLIN. Azuleno[4,5-b]furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, [3aS-(3a«alpha»,6a«alpha»,9a«alpha»,9b«beta»)]-. 2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-. Santamarine. (3aR,4aS,5R,9aS)-5,8-Dimethyl-3-methylene-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one. Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3,6,10-trimethyl-, [3S-(3R*,3aR*,6E,10E,11aR*)]-. Jalcaguaianolide. sedanolide. (3S,3aR)-3-Butyl-3a,4,5,6-tetrahydroisobenzofuran-1(3H)-one. 3,9-Oxy-mentha-1,8(10)-diene. 10-Epigazaniolide. Gazaniolide. Dehydrocostus lactone. GA73, Me. GA73 Methyl ester, [D2].

Find more compounds similar to Costunolide.

Sources

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