Chemical Properties of TRICYCLO[3.3.1.1(3,7)]DECANE, 2-METHOXY-

InChI

InChI=1S/C11H18O/c1-12-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3

InChI Key

FYDHICUFQYUQPE-UHFFFAOYSA-N

Formula

C11H18O

SMILES

COC1C2CC3CC(C2)CC1C3

Molecular Weight¹

166.26

Other Names

• Adamantane, 2-methoxy-
• 2-Methoxyadamantane
• 2-Adamantyl methyl ether
• Adamantylmethylether

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.55; 559.64]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.25580e+02
Coefficient B			1.37572e+00
Coefficient C			-9.67000e-04
Coefficient D			2.76500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.55	J/mol×K	273.00	Calculated Property
Cp,gas	252.33	J/mol×K	353.78	Calculated Property
Cp,gas	312.33	J/mol×K	434.56	Calculated Property
Cp,gas	364.41	J/mol×K	515.33	Calculated Property
Cp,gas	409.45	J/mol×K	596.11	Calculated Property
Cp,gas	448.32	J/mol×K	676.89	Calculated Property
Cp,gas	481.90	J/mol×K	757.67	Calculated Property
Cp,gas	511.07	J/mol×K	838.44	Calculated Property
Cp,gas	536.69	J/mol×K	919.22	Calculated Property
Cp,gas	559.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007253; 0.0012707]	Pa×s	[277.78; 488.29]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-5.92842e+00
Coefficient B			-3.61240e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			277.78
Temperature range, max.			488.29
η	0.0007253	Pa×s	277.78	Calculated Property
η	0.0008024	Pa×s	301.17	Calculated Property
η	0.0008749	Pa×s	324.56	Calculated Property
η	0.0009428	Pa×s	347.95	Calculated Property
η	0.0010066	Pa×s	371.34	Calculated Property
η	0.0010663	Pa×s	394.73	Calculated Property
η	0.0011223	Pa×s	418.12	Calculated Property
η	0.0011749	Pa×s	441.51	Calculated Property
η	0.0012242	Pa×s	464.90	Calculated Property
η	0.0012707	Pa×s	488.29	Calculated Property

Similar Compounds

Find more compounds similar to TRICYCLO[3.3.1.1(3,7)]DECANE, 2-METHOXY-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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