Chemical Properties of 4-(4-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)butan-2-one

InChI

InChI=1S/C13H22O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h10,15H,5-8H2,1-4H3

InChI Key

MGKOACLXSRRQGD-UHFFFAOYSA-N

Formula

C13H22O3

SMILES

CC(=O)CCC12OC1(C)CC(O)CC2(C)C

Molecular Weight¹

226.31

Other Names

• 3-hydroxy-5,6-epoxy-7,8-dihydro-«beta»-ionone

• 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 : 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[553.76; 647.51]	J/mol×K	[678.97; 884.42]
Cp,gas	553.76	J/mol×K	678.97	Joback Calculated Property
Cp,gas	569.16	J/mol×K	713.21	Joback Calculated Property
Cp,gas	584.29	J/mol×K	747.45	Joback Calculated Property
Cp,gas	599.41	J/mol×K	781.70	Joback Calculated Property
Cp,gas	614.81	J/mol×K	815.94	Joback Calculated Property
Cp,gas	630.75	J/mol×K	850.18	Joback Calculated Property
Cp,gas	647.51	J/mol×K	884.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(4-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)butan-2-one.

Sources

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

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