Chemical Properties of (1S,3aS,4S,7R,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulen-3a-ol (CAS 94388-63-3)

InChI

InChI=1S/C15H26O2/c1-10-5-8-15(16)12(10)9-11-6-7-14(15,4)17-13(11,2)3/h10-12,16H,5-9H2,1-4H3

InChI Key

OSXGCNJUBCSZET-UHFFFAOYSA-N

Formula

C15H26O2

SMILES

CC1CCC2(O)C1CC1CCC2(C)OC1(C)C

Molecular Weight¹

238.37

CAS

94388-63-3

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.75; 752.82]	J/mol×K	[681.47; 899.32]
Cp,gas	632.75	J/mol×K	681.47	Joback Calculated Property
Cp,gas	653.00	J/mol×K	717.78	Joback Calculated Property
Cp,gas	672.69	J/mol×K	754.09	Joback Calculated Property
Cp,gas	692.18	J/mol×K	790.40	Joback Calculated Property
Cp,gas	711.81	J/mol×K	826.71	Joback Calculated Property
Cp,gas	731.91	J/mol×K	863.02	Joback Calculated Property
Cp,gas	752.82	J/mol×K	899.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1S,3aS,4S,7R,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulen-3a-ol.

Sources

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

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