Chemical Properties of Bicyclo[2.2.2]oct-2-ene, 5-methyl-, (1«alpha»,4«alpha»,5«beta»)- (CAS 14803-42-0)

InChI

InChI=1S/C9H14/c1-7-6-8-2-4-9(7)5-3-8/h2,4,7-9H,3,5-6H2,1H3/t7-,8?,9?/m1/s1

InChI Key

XOGBWGJGWDPLQZ-AFPNSQJFSA-N

Formula

C9H14

SMILES

CC1CC2C=CC1CC2

Molecular Weight¹

122.21

CAS

14803-42-0

• 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	[135.53; 422.04]	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			-1.02300e+02
Coefficient B			1.05892e+00
Coefficient C			-7.45280e-04
Coefficient D			2.10700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.53	J/mol×K	273.00	Calculated Property
Cp,gas	188.37	J/mol×K	353.78	Calculated Property
Cp,gas	234.41	J/mol×K	434.56	Calculated Property
Cp,gas	274.31	J/mol×K	515.33	Calculated Property
Cp,gas	308.73	J/mol×K	596.11	Calculated Property
Cp,gas	338.35	J/mol×K	676.89	Calculated Property
Cp,gas	363.82	J/mol×K	757.67	Calculated Property
Cp,gas	385.81	J/mol×K	838.44	Calculated Property
Cp,gas	405.00	J/mol×K	919.22	Calculated Property
Cp,gas	422.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007519; 0.0004590]	Pa×s	[216.55; 442.07]	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			-8.16025e+00
Coefficient B			2.09490e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			216.55
Temperature range, max.			442.07
η	0.0007519	Pa×s	216.55	Calculated Property
η	0.0006802	Pa×s	241.61	Calculated Property
η	0.0006269	Pa×s	266.66	Calculated Property
η	0.0005860	Pa×s	291.72	Calculated Property
η	0.0005537	Pa×s	316.78	Calculated Property
η	0.0005275	Pa×s	341.84	Calculated Property
η	0.0005059	Pa×s	366.89	Calculated Property
η	0.0004877	Pa×s	391.95	Calculated Property
η	0.0004723	Pa×s	417.01	Calculated Property
η	0.0004590	Pa×s	442.07	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]oct-2-ene, 5-methyl-, (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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