Chemical Properties of Tricyclo[3.2.1.02,4]octane,8,8-dimethoxy-,(1«alpha»,2«alpha»,4«alpha»,5«alpha»)- (CAS 14224-85-2)

InChI

InChI=1S/C10H16O2/c1-11-10(12-2)8-3-4-9(10)7-5-6(7)8/h6-9H,3-5H2,1-2H3/t6-,7+,8-,9-/m0/s1

InChI Key

GKTKVXRMUZJCBV-KZVJFYERSA-N

Formula

C10H16O2

SMILES

COC1(OC)C2CCC1C1CC12

Molecular Weight¹

168.23

CAS

14224-85-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[183.59; 530.32]	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			-1.38920e+02
Coefficient B			1.52864e+00
Coefficient C			-1.42700e-03
Coefficient D			5.67600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.59	J/mol×K	273.00	Calculated Property
Cp,gas	248.41	J/mol×K	353.78	Calculated Property
Cp,gas	302.46	J/mol×K	434.56	Calculated Property
Cp,gas	347.55	J/mol×K	515.33	Calculated Property
Cp,gas	385.47	J/mol×K	596.11	Calculated Property
Cp,gas	418.01	J/mol×K	676.89	Calculated Property
Cp,gas	446.97	J/mol×K	757.67	Calculated Property
Cp,gas	474.15	J/mol×K	838.44	Calculated Property
Cp,gas	501.33	J/mol×K	919.22	Calculated Property
Cp,gas	530.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[3.2.1.02,4]octane,8,8-dimethoxy-,(1«alpha»,2«alpha»,4«alpha»,5«alpha»)-.

Sources

• 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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