Chemical Properties of 4a«beta»-Methyl-3,4,4a,5,6,7,8a«alpha»-hexahydronaphthalene-1(2H),7(8H)-dione

InChI

InChI=1S/C11H16O2/c1-11-5-2-3-10(13)9(11)7-8(12)4-6-11/h9H,2-7H2,1H3/t9-,11+/m1/s1

InChI Key

PQTSRSJNADEALT-KOLCDFICSA-N

Formula

C11H16O2

SMILES

CC12CCCC(=O)C1CC(=O)CC2

Molecular Weight¹

180.24

• 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 : 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	[407.97; 516.64]	J/mol×K	[617.52; 876.60]
Cp,gas	407.97	J/mol×K	617.52	Joback Calculated Property
Cp,gas	428.79	J/mol×K	660.70	Joback Calculated Property
Cp,gas	448.35	J/mol×K	703.88	Joback Calculated Property
Cp,gas	466.79	J/mol×K	747.06	Joback Calculated Property
Cp,gas	484.23	J/mol×K	790.24	Joback Calculated Property
Cp,gas	500.80	J/mol×K	833.42	Joback Calculated Property
Cp,gas	516.64	J/mol×K	876.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4a«beta»-Methyl-3,4,4a,5,6,7,8a«alpha»-hexahydronaphthalene-1(2H),7(8H)-dione.

Sources

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

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