Chemical Properties of 4,6-diisopropylidene-8,8-dimethylbicyclo[5.1.0]-octan-2-one

InChI

InChI=1S/C16H24O/c1-9(2)11-7-12(10(3)4)14-15(13(17)8-11)16(14,5)6/h11-12,14-15H,1,3,7-8H2,2,4-6H3

InChI Key

DVEMIUDQMPVUPV-UHFFFAOYSA-N

Formula

C16H24O

SMILES

C=C(C)C1CC(=O)C2C(C(C(=C)C)C1)C2(C)C

Molecular Weight¹

232.36

• ω : Acentric Factor.
• 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).
• I_np : Non-polar retention indices.
• 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
ω	0.3985		Relay (1.0) Calculated Property
ΔfG°	188.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-197.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.51	kJ/mol	Joback Calculated Property
ΔvapH°	75.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-4.42		Relay (1.0) Calculated Property
logPoct/wat	4.006		Crippen Calculated Property
McVol	207.550	ml/mol	McGowan Calculated Property
Pc	1781.84	kPa	Joback Calculated Property
Inp	[1883.00; 1883.00]
Inp	1883.00		NIST
Inp	1883.00		NIST
Tboil	564.78	K	Relay (1.0) Calculated Property
Tc	790.47	K	Relay (1.0) Calculated Property
Tfus	361.73	K	Relay (1.0) Calculated Property
Vc	0.683	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[591.65; 712.32]	J/mol×K	[634.67; 858.67]
Cp,gas	591.65	J/mol×K	634.67	Joback Calculated Property
Cp,gas	614.39	J/mol×K	672.00	Joback Calculated Property
Cp,gas	635.90	J/mol×K	709.34	Joback Calculated Property
Cp,gas	656.30	J/mol×K	746.67	Joback Calculated Property
Cp,gas	675.74	J/mol×K	784.00	Joback Calculated Property
Cp,gas	694.37	J/mol×K	821.34	Joback Calculated Property
Cp,gas	712.32	J/mol×K	858.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,6-diisopropylidene-8,8-dimethylbicyclo[5.1.0]-octan-2-one.

Sources

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

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