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_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_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-81.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-390.37	kJ/mol	Joback Calculated Property
ΔfusH°	14.56	kJ/mol	Joback Calculated Property
ΔvapH°	44.76	kJ/mol	Joback Calculated Property
log10WS	-1.91		Crippen Calculated Property
logPoct/wat	1.779		Crippen Calculated Property
McVol	137.480	ml/mol	McGowan Calculated Property
Pc	2931.34	kPa	Joback 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	1241.00		NIST
Inp	1253.00		NIST
I	[1700.00; 1722.00]
I	1700.00		NIST
I	1722.00		NIST
I	1700.00		NIST
Tboil	535.85	K	Joback Calculated Property
Tc	761.98	K	Joback Calculated Property
Tfus	334.27	K	Joback Calculated Property
Vc	0.520	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[356.36; 449.52]	J/mol×K	[535.85; 761.98]
Cp,gas	356.36	J/mol×K	535.85	Joback Calculated Property
Cp,gas	374.33	J/mol×K	573.54	Joback Calculated Property
Cp,gas	391.13	J/mol×K	611.23	Joback Calculated Property
Cp,gas	406.92	J/mol×K	648.91	Joback Calculated Property
Cp,gas	421.82	J/mol×K	686.60	Joback Calculated Property
Cp,gas	435.98	J/mol×K	724.29	Joback Calculated Property
Cp,gas	449.52	J/mol×K	761.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.