Chemical Properties of 3,4,4a,5,8,8a-hexahydro-4a-methyl-2(1H)-naphthalenone (CAS 91967-81-6)

InChI

InChI=1S/C11H16O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h2-3,9H,4-8H2,1H3

InChI Key

OMGBHCMLAUUNBP-UHFFFAOYSA-N

Formula

C11H16O

SMILES

CC12CC=CCC1CC(=O)CC2

Molecular Weight¹

164.24

CAS

91967-81-6

• 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 : 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	[354.64; 459.92]	J/mol×K	[548.86; 796.36]
Cp,gas	354.64	J/mol×K	548.86	Joback Calculated Property
Cp,gas	375.20	J/mol×K	590.11	Joback Calculated Property
Cp,gas	394.34	J/mol×K	631.36	Joback Calculated Property
Cp,gas	412.22	J/mol×K	672.61	Joback Calculated Property
Cp,gas	429.00	J/mol×K	713.86	Joback Calculated Property
Cp,gas	444.85	J/mol×K	755.11	Joback Calculated Property
Cp,gas	459.92	J/mol×K	796.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4,4a,5,8,8a-hexahydro-4a-methyl-2(1H)-naphthalenone.

Sources

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

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