Chemical Properties of Bicyclo[2.2.2]octane, 1-methoxy-4-methyl- (CAS 6555-95-9)

InChI

InChI=1S/C10H18O/c1-9-3-6-10(11-2,7-4-9)8-5-9/h3-8H2,1-2H3

InChI Key

NXGYBOISDZEYCB-UHFFFAOYSA-N

Formula

C10H18O

SMILES

COC12CCC(C)(CC1)CC2

Molecular Weight¹

154.25

CAS

6555-95-9

Other Names

• 1-methoxy-4-methyl-bicyclo[2.2.2]octane

• 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°	14.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-218.19	kJ/mol	Joback Calculated Property
ΔfusH°	2.32	kJ/mol	Joback Calculated Property
ΔvapH°	38.13	kJ/mol	Joback Calculated Property
log10WS	-2.76		Crippen Calculated Property
logPoct/wat	2.746		Crippen Calculated Property
McVol	135.910	ml/mol	McGowan Calculated Property
Pc	3103.64	kPa	Joback Calculated Property
Inp	[1341.00; 1341.00]
Inp	1341.00		NIST
Inp	1341.00		NIST
Tboil	473.12	K	Joback Calculated Property
Tc	695.18	K	Joback Calculated Property
Tfus	301.33	K	Joback Calculated Property
Vc	0.507	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.47; 414.19]	J/mol×K	[473.12; 695.18]
Cp,gas	315.47	J/mol×K	473.12	Joback Calculated Property
Cp,gas	335.35	J/mol×K	510.13	Joback Calculated Property
Cp,gas	353.54	J/mol×K	547.14	Joback Calculated Property
Cp,gas	370.27	J/mol×K	584.15	Joback Calculated Property
Cp,gas	385.80	J/mol×K	621.16	Joback Calculated Property
Cp,gas	400.36	J/mol×K	658.17	Joback Calculated Property
Cp,gas	414.19	J/mol×K	695.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]octane, 1-methoxy-4-methyl-.

Sources

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

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