Chemical Properties of (5a«alpha»,9a«beta»,9b«beta»)-5,5a,6,7,8,9,9a,9b-octahydro-6,6,9a-trimethylnaphtho[1,2-c]furan-1-(3H)-one (drimenin) (CAS 2326-89-8)

InChI

InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h5,11-12H,4,6-9H2,1-3H3

InChI Key

BQNSBENKJCLJGN-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

CC1(C)CCCC2(C)C3C(=O)OCC3=CCC12

Molecular Weight¹

234.33

CAS

2326-89-8

Other Names

• Drimenin

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.41	kJ/mol	Joback Calculated Property
logPoct/wat	3.322		Crippen Calculated Property
McVol	192.770	ml/mol	McGowan Calculated Property
Inp	[1941.00; 1941.00]
Inp	1941.00		NIST
Inp	1941.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[579.85; 706.18]	J/mol×K	[674.62; 925.69]
Cp,gas	579.85	J/mol×K	674.62	Joback Calculated Property
Cp,gas	602.24	J/mol×K	716.46	Joback Calculated Property
Cp,gas	623.65	J/mol×K	758.31	Joback Calculated Property
Cp,gas	644.41	J/mol×K	800.15	Joback Calculated Property
Cp,gas	664.86	J/mol×K	842.00	Joback Calculated Property
Cp,gas	685.33	J/mol×K	883.84	Joback Calculated Property
Cp,gas	706.18	J/mol×K	925.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to (5a«alpha»,9a«beta»,9b«beta»)-5,5a,6,7,8,9,9a,9b-octahydro-6,6,9a-trimethylnaphtho[1,2-c]furan-1-(3H)-one (drimenin).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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