Chemical Properties of Chloranthalactone A (CAS 66395-02-6)

InChI

InChI=1S/C15H16O2/c1-7-9-4-12(9)15(3)6-13-10(5-11(7)15)8(2)14(16)17-13/h6,9,11-12H,1,4-5H2,2-3H3

InChI Key

OVEQSZKTJIUNHZ-UHFFFAOYSA-N

Formula

C15H16O2

SMILES

C=C1C2CC2C2(C)C=C3OC(=O)C(C)=C3CC12

Molecular Weight¹

228.29

CAS

66395-02-6

Other Names

• Dehydroshizukanolide

• 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).
• I_np : Non-polar retention indices.
• 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	[510.18; 604.90]	J/mol×K	[681.26; 921.63]
Cp,gas	510.18	J/mol×K	681.26	Joback Calculated Property
Cp,gas	527.18	J/mol×K	721.32	Joback Calculated Property
Cp,gas	543.38	J/mol×K	761.38	Joback Calculated Property
Cp,gas	559.02	J/mol×K	801.45	Joback Calculated Property
Cp,gas	574.32	J/mol×K	841.51	Joback Calculated Property
Cp,gas	589.54	J/mol×K	881.57	Joback Calculated Property
Cp,gas	604.90	J/mol×K	921.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chloranthalactone A.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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