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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.37; 458.90]	J/mol×K	[486.11; 713.49]
Cp,gas	334.37	J/mol×K	486.11	Joback Calculated Property
Cp,gas	358.66	J/mol×K	524.01	Joback Calculated Property
Cp,gas	381.46	J/mol×K	561.90	Joback Calculated Property
Cp,gas	402.83	J/mol×K	599.80	Joback Calculated Property
Cp,gas	422.83	J/mol×K	637.70	Joback Calculated Property
Cp,gas	441.50	J/mol×K	675.60	Joback Calculated Property
Cp,gas	458.90	J/mol×K	713.49	Joback Calculated Property
Cp,solid	213.20	J/mol×K	298.15	NIST
η	[0.0003306; 0.0074291]	Pa×s	[232.01; 486.11]
η	0.0074291	Pa×s	232.01	Joback Calculated Property
η	0.0029635	Pa×s	274.36	Joback Calculated Property
η	0.0015115	Pa×s	316.71	Joback Calculated Property
η	0.0009036	Pa×s	359.06	Joback Calculated Property
η	0.0006022	Pa×s	401.41	Joback Calculated Property
η	0.0004336	Pa×s	443.76	Joback Calculated Property
η	0.0003306	Pa×s	486.11	Joback Calculated Property
ΔsubH	6.36	kJ/mol	298.15	NIST
ΔsubS	21.33	J/mol×K	298.15	NIST

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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