Chemical Properties of 1-((1S,3aR,4S,7R,7aR)-3a,7a-Dimethyloctahydro-1H-4,7-methanoinden-1-yl)ethanone (CAS 66748-84-3)

InChI

InChI=1S/C14H22O/c1-9(15)12-6-7-13(2)10-4-5-11(8-10)14(12,13)3/h10-12H,4-8H2,1-3H3

InChI Key

ZVJYJEILWCYOQE-UHFFFAOYSA-N

Formula

C14H22O

SMILES

CC(=O)C1CCC2(C)C3CCC(C3)C12C

Molecular Weight¹

206.32

CAS

66748-84-3

• 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	[497.75; 608.72]	J/mol×K	[589.22; 815.60]
Cp,gas	497.75	J/mol×K	589.22	Joback Calculated Property
Cp,gas	518.74	J/mol×K	626.95	Joback Calculated Property
Cp,gas	538.31	J/mol×K	664.68	Joback Calculated Property
Cp,gas	556.79	J/mol×K	702.41	Joback Calculated Property
Cp,gas	574.48	J/mol×K	740.14	Joback Calculated Property
Cp,gas	591.69	J/mol×K	777.87	Joback Calculated Property
Cp,gas	608.72	J/mol×K	815.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-((1S,3aR,4S,7R,7aR)-3a,7a-Dimethyloctahydro-1H-4,7-methanoinden-1-yl)ethanone.

Sources

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

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