Chemical Properties of Bicyclo[3.3.1]nonane

InChI

InChI=1S/C9H16/c1-3-8-5-2-6-9(4-1)7-8/h8-9H,1-7H2

InChI Key

WNTGVOIBBXFMLR-UHFFFAOYSA-N

Formula

C9H16

SMILES

C1CC2CCCC(C1)C2

Molecular Weight¹

124.23

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_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).
• 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	-5650.10 ± 0.80	kJ/mol	NIST
ΔfH°gas	-128.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-178.00 ± 0.80	kJ/mol	NIST
ΔfusH°	9.04	kJ/mol	Joback Calculated Property
ΔsubH°	[50.00; 51.00]	kJ/mol
ΔsubH°	50.00	kJ/mol	NIST
ΔsubH°	51.00 ± 2.00	kJ/mol	NIST
ΔvapH°	45.49	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	NIST
logPoct/wat	2.977		Crippen Calculated Property
McVol	115.950	ml/mol	McGowan Calculated Property
Tboil	442.78	K	Relay (1.0) Calculated Property
Tfus	418.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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	[134.84; 448.46]	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			-1.21140e+02
Coefficient B			1.13180e+00
Coefficient C			-7.67000e-04
Coefficient D			2.04800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.84	J/mol×K	273.00	Calculated Property
Cp,gas	192.34	J/mol×K	353.78	Calculated Property
Cp,gas	242.66	J/mol×K	434.56	Calculated Property
Cp,gas	286.45	J/mol×K	515.33	Calculated Property
Cp,gas	324.37	J/mol×K	596.11	Calculated Property
Cp,gas	357.06	J/mol×K	676.89	Calculated Property
Cp,gas	385.16	J/mol×K	757.67	Calculated Property
Cp,gas	409.33	J/mol×K	838.44	Calculated Property
Cp,gas	430.22	J/mol×K	919.22	Calculated Property
Cp,gas	448.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004840; 0.0004201]	Pa×s	[418.65; 453.73]	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			-9.46389e+00
Coefficient B			7.66310e+02
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.			418.65
Temperature range, max.			453.73
η	0.0004840	Pa×s	418.65	Calculated Property
η	0.0004759	Pa×s	422.55	Calculated Property
η	0.0004681	Pa×s	426.45	Calculated Property
η	0.0004605	Pa×s	430.34	Calculated Property
η	0.0004532	Pa×s	434.24	Calculated Property
η	0.0004461	Pa×s	438.14	Calculated Property
η	0.0004393	Pa×s	442.04	Calculated Property
η	0.0004327	Pa×s	445.93	Calculated Property
η	0.0004263	Pa×s	449.83	Calculated Property
η	0.0004201	Pa×s	453.73	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.3.1]nonane.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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