Chemical Properties of Bicyclo[2.2.2]oct-2-ene, 5-ethyl-, (1«alpha»,4«alpha»,5«beta»)- (CAS 106623-85-2)

InChI

InChI=1S/C10H16/c1-2-9-7-8-3-5-10(9)6-4-8/h3,5,8-10H,2,4,6-7H2,1H3/t8?,9-,10?/m0/s1

InChI Key

FTOFVYGLRHSFAM-KYHHOPLUSA-N

Formula

C10H16

SMILES

CCC1CC2C=CC1CC2

Molecular Weight¹

136.23

CAS

106623-85-2

• 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	[156.74; 473.63]	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			-1.03209e+02
Coefficient B			1.15392e+00
Coefficient C			-7.99680e-04
Coefficient D			2.22600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.74	J/mol×K	273.00	Calculated Property
Cp,gas	214.79	J/mol×K	353.78	Calculated Property
Cp,gas	265.49	J/mol×K	434.56	Calculated Property
Cp,gas	309.54	J/mol×K	515.33	Calculated Property
Cp,gas	347.64	J/mol×K	596.11	Calculated Property
Cp,gas	380.51	J/mol×K	676.89	Calculated Property
Cp,gas	408.83	J/mol×K	757.67	Calculated Property
Cp,gas	433.33	J/mol×K	838.44	Calculated Property
Cp,gas	454.69	J/mol×K	919.22	Calculated Property
Cp,gas	473.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009901; 0.0005079]	Pa×s	[227.82; 456.33]	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			-8.25060e+00
Coefficient B			3.03650e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			227.82
Temperature range, max.			456.33
η	0.0009901	Pa×s	227.82	Calculated Property
η	0.0008662	Pa×s	253.21	Calculated Property
η	0.0007765	Pa×s	278.60	Calculated Property
η	0.0007090	Pa×s	303.99	Calculated Property
η	0.0006564	Pa×s	329.38	Calculated Property
η	0.0006145	Pa×s	354.77	Calculated Property
η	0.0005804	Pa×s	380.16	Calculated Property
η	0.0005521	Pa×s	405.55	Calculated Property
η	0.0005282	Pa×s	430.94	Calculated Property
η	0.0005079	Pa×s	456.33	Calculated Property

Similar Compounds

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