Chemical Properties of Bicyclo[3.3.3]undecane

InChI

InChI=1S/C11H20/c1-4-10-6-2-7-11(5-1)9-3-8-10/h10-11H,1-9H2

InChI Key

NAVGAEZCCRCJQT-UHFFFAOYSA-N

Formula

C11H20

SMILES

C1CC2CCCC(C1)CCC2

Molecular Weight¹

152.28

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• Δ_subS : Entropy of sublimation at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-7034.00 ± 2.00	kJ/mol	NIST
ΔfH°gas	-89.00 ± 2.00	kJ/mol	NIST
ΔfH°solid	-152.50 ± 1.80	kJ/mol	NIST
ΔfusH°	10.02	kJ/mol	Joback Calculated Property
ΔsubH°	[63.50; 63.60]	kJ/mol
ΔsubH°	63.60 ± 0.84	kJ/mol	NIST
ΔsubH°	63.50	kJ/mol	NIST
ΔvapH°	53.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
logPoct/wat	3.757		Crippen Calculated Property
McVol	144.130	ml/mol	McGowan Calculated Property
Tboil	496.13	K	Relay (1.0) Calculated Property
Tfus	348.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.49; 555.20]	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			-1.33200e+02
Coefficient B			1.30260e+00
Coefficient C			-7.83000e-04
Coefficient D			1.68800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.49	J/mol×K	273.00	Calculated Property
Cp,gas	237.11	J/mol×K	353.78	Calculated Property
Cp,gas	298.84	J/mol×K	434.56	Calculated Property
Cp,gas	353.23	J/mol×K	515.33	Calculated Property
Cp,gas	400.81	J/mol×K	596.11	Calculated Property
Cp,gas	442.11	J/mol×K	676.89	Calculated Property
Cp,gas	477.67	J/mol×K	757.67	Calculated Property
Cp,gas	508.01	J/mol×K	838.44	Calculated Property
Cp,gas	533.68	J/mol×K	919.22	Calculated Property
Cp,gas	555.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0074291; 0.0003064]	Pa×s	[232.01; 499.45]	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			-1.08563e+01
Coefficient B			1.38137e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			232.01
Temperature range, max.			499.45
η	0.0074291	Pa×s	232.01	Calculated Property
η	0.0037789	Pa×s	261.73	Calculated Property
η	0.0022062	Pa×s	291.44	Calculated Property
η	0.0014230	Pa×s	321.16	Calculated Property
η	0.0009885	Pa×s	350.87	Calculated Property
η	0.0007269	Pa×s	380.59	Calculated Property
η	0.0005589	Pa×s	410.30	Calculated Property
η	0.0004452	Pa×s	440.02	Calculated Property
η	0.0003650	Pa×s	469.73	Calculated Property
η	0.0003064	Pa×s	499.45	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.3.3]undecane.

Sources

• Cheméo Relay (1.0)
• 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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