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

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

• 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	[560.07; 664.71]	J/mol×K	[688.18; 932.76]
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

Find more compounds similar to Costunolide.

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.