Chemical Properties of 7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-3-(1-methylethyl)- (CAS 5286-38-4)

InChI

InChI=1S/C10H16O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h6-7,9H,4-5H2,1-3H3

InChI Key

IAFONZHDZMCORS-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC(C)C1CCC2(C)OC2C1=O

Molecular Weight¹

168.23

CAS

5286-38-4

Other Names

• p-Menthan-3-one, 1,2-epoxy-
• Piperitone oxide
• Piperitone 1-oxide
• Pipertone, oxide
• 1,2-Epoxy-p-menthane-3-one
• Piperiton epoxid
• 6-methyl-3-(1-methylethyl)-7-oxabicyclo[4.1.0]heptan-2-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.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.56	kJ/mol	Joback Calculated Property
logPoct/wat	1.779		Crippen Calculated Property
McVol	137.480	ml/mol	McGowan Calculated Property
Inp	[1230.00; 1280.00]
Inp	1253.00		NIST
Inp	1230.00		NIST
Inp	1230.00		NIST
Inp	1241.00		NIST
Inp	Outlier 1280.00		NIST
Inp	1259.00		NIST
Inp	1259.00		NIST
Inp	1231.00		NIST
Inp	1253.00		NIST
Inp	1251.00		NIST
Inp	1253.00		NIST
Inp	1241.00		NIST
Ip	[1700.00; 1722.00]
Ip	1700.00		NIST
Ip	1722.00		NIST
Ip	1700.00		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	[187.60; 529.67]	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			-1.03790e+02
Coefficient B			1.34606e+00
Coefficient C			-1.13670e-03
Coefficient D			4.24100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.60	J/mol×K	273.00	Calculated Property
Cp,gas	248.93	J/mol×K	353.78	Calculated Property
Cp,gas	301.30	J/mol×K	434.56	Calculated Property
Cp,gas	346.05	J/mol×K	515.33	Calculated Property
Cp,gas	384.52	J/mol×K	596.11	Calculated Property
Cp,gas	418.06	J/mol×K	676.89	Calculated Property
Cp,gas	448.00	J/mol×K	757.67	Calculated Property
Cp,gas	475.69	J/mol×K	838.44	Calculated Property
Cp,gas	502.47	J/mol×K	919.22	Calculated Property
Cp,gas	529.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-3-(1-methylethyl)-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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