Chemical Properties of Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-

InChI

InChI=1S/C13H22O/c1-8(2)5-10-11-6-9(7-12(10)14)13(11,3)4/h8-11H,5-7H2,1-4H3

InChI Key

BLQUUSSRJOLJLD-UHFFFAOYSA-N

Formula

C13H22O

SMILES

CC(C)CC1C(=O)CC2CC1C2(C)C

Molecular Weight¹

194.31

Other Names

• 6,6-Dimethyl-2-(2-methylpropyl)-bicyclo[3.1.1]heptan-3-one (isomer)

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[472.83; 583.47]	J/mol×K	[572.87; 789.25]
Cp,gas	472.83	J/mol×K	572.87	Joback Calculated Property
Cp,gas	493.81	J/mol×K	608.93	Joback Calculated Property
Cp,gas	513.61	J/mol×K	645.00	Joback Calculated Property
Cp,gas	532.35	J/mol×K	681.06	Joback Calculated Property
Cp,gas	550.16	J/mol×K	717.12	Joback Calculated Property
Cp,gas	567.16	J/mol×K	753.18	Joback Calculated Property
Cp,gas	583.47	J/mol×K	789.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-.

Sources

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

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