Chemical Properties of Bicyclo[2.2.2]oct-2-ene, 5-ethenyl-, (1«alpha»,4«alpha»,5«alpha»)- (CAS 21145-79-9)

InChI

InChI=1S/C10H14/c1-2-9-7-8-3-5-10(9)6-4-8/h2-3,5,8-10H,1,4,6-7H2/t8-,9-,10-/m0/s1

InChI Key

OVAIKAHGQOHGBD-GUBZILKMSA-N

Formula

C10H14

SMILES

C=CC1CC2C=CC1CC2

Molecular Weight¹

134.22

CAS

21145-79-9

• 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

Property	Value	Unit	Source
ΔfH°gas	[105.00; 106.00]	kJ/mol
ΔfH°gas	105.00 ± 4.20	kJ/mol	NIST
ΔfH°gas	106.00	kJ/mol	NIST
ΔfusH°	14.74	kJ/mol	Joback Calculated Property
ΔvapH°	45.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
logPoct/wat	2.775		Crippen Calculated Property
McVol	121.440	ml/mol	McGowan Calculated Property
Pc	3009.03	kPa	Joback Calculated Property
Tboil	443.95	K	Relay (1.0) Calculated Property
Tc	666.63	K	Relay (1.0) Calculated Property
Tfus	311.34	K	Relay (1.0) Calculated Property

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	[146.93; 445.12]	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			-1.06200e+02
Coefficient B			1.13390e+00
Coefficient C			-8.22580e-04
Coefficient D			2.40000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.93	J/mol×K	273.00	Calculated Property
Cp,gas	202.62	J/mol×K	353.78	Calculated Property
Cp,gas	250.90	J/mol×K	434.56	Calculated Property
Cp,gas	292.53	J/mol×K	515.33	Calculated Property
Cp,gas	328.27	J/mol×K	596.11	Calculated Property
Cp,gas	358.87	J/mol×K	676.89	Calculated Property
Cp,gas	385.10	J/mol×K	757.67	Calculated Property
Cp,gas	407.71	J/mol×K	838.44	Calculated Property
Cp,gas	427.46	J/mol×K	919.22	Calculated Property
Cp,gas	445.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008472; 0.0004970]	Pa×s	[226.06; 457.30]	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			-8.12850e+00
Coefficient B			2.38490e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			226.06
Temperature range, max.			457.30
η	0.0008472	Pa×s	226.06	Calculated Property
η	0.0007608	Pa×s	251.75	Calculated Property
η	0.0006969	Pa×s	277.45	Calculated Property
η	0.0006479	Pa×s	303.14	Calculated Property
η	0.0006093	Pa×s	328.83	Calculated Property
η	0.0005781	Pa×s	354.53	Calculated Property
η	0.0005524	Pa×s	380.22	Calculated Property
η	0.0005309	Pa×s	405.91	Calculated Property
η	0.0005126	Pa×s	431.60	Calculated Property
η	0.0004970	Pa×s	457.30	Calculated Property

Similar Compounds

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

Sources

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

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