Chemical Properties of caryophylla-2(12),6-dien-5-one

InChI

InChI=1S/C15H22O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-13H,1,6-9H2,2-4H3/b11-5-/t12-,13-/m0/s1

InChI Key

UVPVOJNEDSOAHT-CGGDQNISSA-N

Formula

C15H22O

SMILES

C=C1CCC(=O)C(C)=CCC2C1CC2(C)C

Molecular Weight¹

218.33

• 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 : 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	[542.17; 660.47]	J/mol×K	[644.12; 882.69]
Cp,gas	542.17	J/mol×K	644.12	Joback Calculated Property
Cp,gas	564.63	J/mol×K	683.88	Joback Calculated Property
Cp,gas	585.82	J/mol×K	723.64	Joback Calculated Property
Cp,gas	605.89	J/mol×K	763.41	Joback Calculated Property
Cp,gas	624.93	J/mol×K	803.17	Joback Calculated Property
Cp,gas	643.09	J/mol×K	842.93	Joback Calculated Property
Cp,gas	660.47	J/mol×K	882.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to caryophylla-2(12),6-dien-5-one.

Sources

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

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