Chemical Properties of 2,2,6-Trimethyl-1-(3-methylbuta-1,3-dienyl)-7-oxabicyclo[4.1.0]heptan-3-ol

InChI

InChI=1S/C14H22O2/c1-10(2)6-9-14-12(3,4)11(15)7-8-13(14,5)16-14/h6,9,11,15H,1,7-8H2,2-5H3/b9-6+

InChI Key

ISUAUJDTROMBDT-RMKNXTFCSA-N

Formula

C14H22O2

SMILES

C=C(C)C=CC12OC1(C)CCC(O)C2(C)C

Molecular Weight¹

222.32

Other Names

• 3-Hydroxy-5,6-epoxy-«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_np : Non-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°	81.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-239.18	kJ/mol	Joback Calculated Property
ΔfusH°	19.11	kJ/mol	Joback Calculated Property
ΔvapH°	63.24	kJ/mol	Joback Calculated Property
log10WS	-3.62		Crippen Calculated Property
logPoct/wat	2.827		Crippen Calculated Property
McVol	189.540	ml/mol	McGowan Calculated Property
Pc	2436.25	kPa	Joback Calculated Property
Inp	[1692.00; 1692.00]
Inp	1692.00		NIST
Inp	1692.00		NIST
Tboil	648.70	K	Joback Calculated Property
Tc	859.20	K	Joback Calculated Property
Tfus	409.71	K	Joback Calculated Property
Vc	0.720	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[541.55; 636.63]	J/mol×K	[648.70; 859.20]
Cp,gas	541.55	J/mol×K	648.70	Joback Calculated Property
Cp,gas	557.70	J/mol×K	683.78	Joback Calculated Property
Cp,gas	573.31	J/mol×K	718.87	Joback Calculated Property
Cp,gas	588.68	J/mol×K	753.95	Joback Calculated Property
Cp,gas	604.15	J/mol×K	789.03	Joback Calculated Property
Cp,gas	620.03	J/mol×K	824.12	Joback Calculated Property
Cp,gas	636.63	J/mol×K	859.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,6-Trimethyl-1-(3-methylbuta-1,3-dienyl)-7-oxabicyclo[4.1.0]heptan-3-ol.

Sources

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

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