Chemical Properties of 2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl- (CAS 18679-48-6)

InChI

InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3

InChI Key

YVCUGZBVCHODNB-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

CC1(C)OC2(C)CCC1CC2O

Molecular Weight¹

170.25

CAS

18679-48-6

Other Names

• 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
• 2-Hydroxy-1,8-cineole
• 2-Hydroxycineol
• 2-Hydroxycineole
• p-Menthan-2-ol, 1,8-epoxy-
• 2-hydroxy-1,8-cineol

• 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°	-118.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.88	kJ/mol	Joback Calculated Property
ΔfusH°	15.34	kJ/mol	Joback Calculated Property
ΔvapH°	56.29	kJ/mol	Joback Calculated Property
log10WS	-2.24		Crippen Calculated Property
logPoct/wat	1.715		Crippen Calculated Property
McVol	141.780	ml/mol	McGowan Calculated Property
Pc	3224.64	kPa	Joback Calculated Property
Inp	[1219.00; 1267.00]
Inp	1229.20		NIST
Inp	1219.00		NIST
Inp	Outlier 1267.00		NIST
Inp	1227.00		NIST
Inp	1240.00		NIST
Inp	1227.00		NIST
Tboil	560.49	K	Joback Calculated Property
Tc	767.10	K	Joback Calculated Property
Tfus	358.01	K	Joback Calculated Property
Vc	0.527	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[386.49; 470.44]	J/mol×K	[560.49; 767.10]
Cp,gas	386.49	J/mol×K	560.49	Joback Calculated Property
Cp,gas	402.41	J/mol×K	594.92	Joback Calculated Property
Cp,gas	417.30	J/mol×K	629.36	Joback Calculated Property
Cp,gas	431.35	J/mol×K	663.79	Joback Calculated Property
Cp,gas	444.77	J/mol×K	698.23	Joback Calculated Property
Cp,gas	457.73	J/mol×K	732.66	Joback Calculated Property
Cp,gas	470.44	J/mol×K	767.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-.

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.