Chemical Properties of Bicyclo[2.2.2]oct-2-ene, 5-(1-methylethyl)-, (1«alpha»,4«alpha»,5«beta»)- (CAS 106562-31-6)

InChI

InChI=1S/C11H18/c1-8(2)11-7-9-3-5-10(11)6-4-9/h3,5,8-11H,4,6-7H2,1-2H3/t9?,10?,11-/m0/s1

InChI Key

MWCYZAVQYCJVIJ-ILDUYXDCSA-N

Formula

C11H18

SMILES

CC(C)C1CC2C=CC1CC2

Molecular Weight¹

150.26

CAS

106562-31-6

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, 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	[177.64; 525.76]	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			-1.05800e+02
Coefficient B			1.25484e+00
Coefficient C			-8.57280e-04
Coefficient D			2.34000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.64	J/mol×K	273.00	Calculated Property
Cp,gas	241.20	J/mol×K	353.78	Calculated Property
Cp,gas	296.81	J/mol×K	434.56	Calculated Property
Cp,gas	345.22	J/mol×K	515.33	Calculated Property
Cp,gas	387.16	J/mol×K	596.11	Calculated Property
Cp,gas	423.37	J/mol×K	676.89	Calculated Property
Cp,gas	454.60	J/mol×K	757.67	Calculated Property
Cp,gas	481.58	J/mol×K	838.44	Calculated Property
Cp,gas	505.05	J/mol×K	919.22	Calculated Property
Cp,gas	525.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014422; 0.0005179]	Pa×s	[224.09; 473.54]	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			-8.48560e+00
Coefficient B			4.35630e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			224.09
Temperature range, max.			473.54
η	0.0014422	Pa×s	224.09	Calculated Property
η	0.0011644	Pa×s	251.81	Calculated Property
η	0.0009808	Pa×s	279.52	Calculated Property
η	0.0008522	Pa×s	307.24	Calculated Property
η	0.0007578	Pa×s	334.96	Calculated Property
η	0.0006861	Pa×s	362.67	Calculated Property
η	0.0006300	Pa×s	390.39	Calculated Property
η	0.0005851	Pa×s	418.11	Calculated Property
η	0.0005484	Pa×s	445.82	Calculated Property
η	0.0005179	Pa×s	473.54	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]oct-2-ene, 5-(1-methylethyl)-, (1«alpha»,4«alpha»,5«beta»)-.

Sources

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

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