Chemical Properties of Caryophylla-3,8(15)-dien-5-one

InChI

InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h6H,1,5,7-11H2,2-4H3/b13-6-

InChI Key

ODYWEDCMANZQIY-MLPAPPSSSA-N

Formula

C15H24O

SMILES

C=C1CCC(=O)/C(C)=C\CCC(C)(C)CC1

Molecular Weight¹

220.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.13; 727.37]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.11500e+01
Coefficient B			1.39356e+00
Coefficient C			-7.57640e-04
Coefficient D			1.62600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.13	J/mol×K	273.00	Calculated Property
Cp,gas	334.23	J/mol×K	353.78	Calculated Property
Cp,gas	404.70	J/mol×K	434.56	Calculated Property
Cp,gas	468.05	J/mol×K	515.33	Calculated Property
Cp,gas	524.78	J/mol×K	596.11	Calculated Property
Cp,gas	575.43	J/mol×K	676.89	Calculated Property
Cp,gas	620.50	J/mol×K	757.67	Calculated Property
Cp,gas	660.50	J/mol×K	838.44	Calculated Property
Cp,gas	695.95	J/mol×K	919.22	Calculated Property
Cp,gas	727.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Caryophylla-3,8(15)-dien-5-one.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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