Chemical Properties of Eremophila ketone (CAS 158930-41-7)

InChI

InChI=1S/C15H24O/c1-10-5-6-11-13(2,3)12(16)14(4)7-8-15(10,11)9-14/h10-11H,5-9H2,1-4H3

InChI Key

FKIMAXRXZJXZBA-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1CCC2C(C)(C)C(=O)C3(C)CCC12C3

Molecular Weight¹

220.35

CAS

158930-41-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.69; 770.40]	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			-2.73380e+02
Coefficient B			2.51678e+00
Coefficient C			-2.60300e-03
Coefficient D			1.13000e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	242.69	J/mol×K	273.00	Calculated Property
Cp,gas	341.25	J/mol×K	353.78	Calculated Property
Cp,gas	421.48	J/mol×K	434.56	Calculated Property
Cp,gas	486.97	J/mol×K	515.33	Calculated Property
Cp,gas	541.29	J/mol×K	596.11	Calculated Property
Cp,gas	588.02	J/mol×K	676.89	Calculated Property
Cp,gas	630.71	J/mol×K	757.67	Calculated Property
Cp,gas	672.96	J/mol×K	838.44	Calculated Property
Cp,gas	718.33	J/mol×K	919.22	Calculated Property
Cp,gas	770.40	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Eremophila ketone.

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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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