Chemical Properties of Bicyclo(3.3.1)nonane-2,6-dione (CAS 16473-11-3)

InChI

InChI=1S/C9H12O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-7H,1-5H2

InChI Key

QWNPVTXLBMSEPN-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

O=C1CCC2CC1CCC2=O

Molecular Weight¹

152.19

CAS

16473-11-3

Other Names

• Bicyclo[3.3.1]nona-2,6-dione
• Meerwein's ketone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-135.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-377.37	kJ/mol	Joback Calculated Property
ΔfusH°	8.06	kJ/mol	Joback Calculated Property
ΔvapH°	44.46	kJ/mol	Joback Calculated Property
IE	[9.00; 9.33]	eV
IE	9.00	eV	NIST
IE	9.33	eV	NIST
IE	9.33	eV	NIST
log10WS	-1.46		Crippen Calculated Property
logPoct/wat	1.335		Crippen Calculated Property
McVol	119.090	ml/mol	McGowan Calculated Property
Pc	3555.77	kPa	Joback Calculated Property
Tboil	567.25	K	Joback Calculated Property
Tc	818.08	K	Joback Calculated Property
Tfus	352.95	K	Joback Calculated Property
Vc	0.444	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[309.15; 403.93]	J/mol×K	[567.25; 818.08]
Cp,gas	309.15	J/mol×K	567.25	Joback Calculated Property
Cp,gas	327.76	J/mol×K	609.05	Joback Calculated Property
Cp,gas	345.25	J/mol×K	650.86	Joback Calculated Property
Cp,gas	361.62	J/mol×K	692.66	Joback Calculated Property
Cp,gas	376.86	J/mol×K	734.47	Joback Calculated Property
Cp,gas	390.97	J/mol×K	776.27	Joback Calculated Property
Cp,gas	403.93	J/mol×K	818.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo(3.3.1)nonane-2,6-dione.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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