Chemical Properties of 2-Oxabicyclo[2.2.2]octan-6-one, 1,3,3-trimethyl- (CAS 107598-08-3)

InChI

InChI=1S/C10H16O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7H,4-6H2,1-3H3

InChI Key

CCBAAZXPXFYPBE-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC12CCC(CC1=O)C(C)(C)O2

Molecular Weight¹

168.23

CAS

107598-08-3

Other Names

• 2-Oxocineole

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3783		Relay (1.0) Calculated Property
ΔfG°	-96.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-386.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.69	kJ/mol	Joback Calculated Property
ΔvapH°	52.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-1.26		Relay (1.0) Calculated Property
logPoct/wat	1.923		Crippen Calculated Property
McVol	137.480	ml/mol	McGowan Calculated Property
Pc	3138.51	kPa	Joback Calculated Property
Inp	[1217.00; 1217.00]
Inp	1217.00		NIST
Inp	1217.00		NIST
Tboil	478.24	K	Relay (1.0) Calculated Property
Tc	728.96	K	Relay (1.0) Calculated Property
Tfus	398.03	K	Relay (1.0) Calculated Property
Vc	0.496	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[356.06; 451.60]	J/mol×K	[540.80; 780.01]
Cp,gas	356.06	J/mol×K	540.80	Joback Calculated Property
Cp,gas	374.39	J/mol×K	580.67	Joback Calculated Property
Cp,gas	391.40	J/mol×K	620.54	Joback Calculated Property
Cp,gas	407.37	J/mol×K	660.41	Joback Calculated Property
Cp,gas	422.55	J/mol×K	700.27	Joback Calculated Property
Cp,gas	437.20	J/mol×K	740.14	Joback Calculated Property
Cp,gas	451.60	J/mol×K	780.01	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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