Chemical Properties of Mint ketone (Salvial-4(14)-en-1-one)

InChI

InChI=1S/C14H22O/c1-9(2)11-5-6-12-13(11)8-10(3)4-7-14(12)15/h9,11-13H,3-8H2,1-2H3/t11-,12?,13?/m0/s1

InChI Key

KILBVQYCOPAGMH-PNESKVBLSA-N

Formula

C14H22O

SMILES

C=C1CCC(=O)C2CC[C@@H](C(C)C)C2C1

Molecular Weight¹

206.33

Other Names

• Savial-4(14)-en-1-one

• 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

Property	Value	Unit	Source
ΔfusH°	15.78	kJ/mol	Joback Calculated Property
logPoct/wat	3.594		Crippen Calculated Property
McVol	183.670	ml/mol	McGowan Calculated Property
Inp	[1574.00; 1585.00]
Inp	1574.00		NIST
Inp	1585.00		NIST
Inp	1574.00		NIST

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	[240.85; 682.61]	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			-6.78300e+01
Coefficient B			1.29084e+00
Coefficient C			-6.04000e-04
Coefficient D			6.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.85	J/mol×K	273.00	Calculated Property
Cp,gas	316.06	J/mol×K	353.78	Calculated Property
Cp,gas	384.27	J/mol×K	434.56	Calculated Property
Cp,gas	445.68	J/mol×K	515.33	Calculated Property
Cp,gas	500.50	J/mol×K	596.11	Calculated Property
Cp,gas	548.91	J/mol×K	676.89	Calculated Property
Cp,gas	591.13	J/mol×K	757.67	Calculated Property
Cp,gas	627.35	J/mol×K	838.44	Calculated Property
Cp,gas	657.78	J/mol×K	919.22	Calculated Property
Cp,gas	682.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Mint ketone (Salvial-4(14)-en-1-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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