Chemical Properties of (3R,5aR,9S,9aS)-2,2,5a,9-Tetramethyloctahydro-2H-3,9a-methanobenzo[b]oxepine (CAS 765307-45-7)

InChI

InChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3

InChI Key

HVAVUZLEYSAYGE-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC1CCCC2(C)CCC3CC12OC3(C)C

Molecular Weight¹

222.37

CAS

765307-45-7

Other Names

• 4-Epi-cis-Dihydroagarofuran
• Froggatt ether

• 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	[558.99; 689.92]	J/mol×K	[593.96; 830.88]
Cp,gas	558.99	J/mol×K	593.96	Joback Calculated Property
Cp,gas	583.21	J/mol×K	633.45	Joback Calculated Property
Cp,gas	605.88	J/mol×K	672.93	Joback Calculated Property
Cp,gas	627.44	J/mol×K	712.42	Joback Calculated Property
Cp,gas	648.34	J/mol×K	751.91	Joback Calculated Property
Cp,gas	669.02	J/mol×K	791.40	Joback Calculated Property
Cp,gas	689.92	J/mol×K	830.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3R,5aR,9S,9aS)-2,2,5a,9-Tetramethyloctahydro-2H-3,9a-methanobenzo[b]oxepine.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.