Chemical Properties of (1R,3S,4S)-1,3-Dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]oct-5-ene (CAS 211237-38-6)

InChI

InChI=1S/C15H24O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6-7,10,13H,5,8-9,11H2,1-4H3

InChI Key

VLUGOADEEDGFLB-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC(C)=CCCC1(C)OC2(C)C=CC1CC2

Molecular Weight¹

220.35

CAS

211237-38-6

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[531.36; 640.92]	J/mol×K	[590.78; 810.78]
Cp,gas	531.36	J/mol×K	590.78	Joback Calculated Property
Cp,gas	551.94	J/mol×K	627.45	Joback Calculated Property
Cp,gas	571.23	J/mol×K	664.11	Joback Calculated Property
Cp,gas	589.50	J/mol×K	700.78	Joback Calculated Property
Cp,gas	607.02	J/mol×K	737.45	Joback Calculated Property
Cp,gas	624.07	J/mol×K	774.11	Joback Calculated Property
Cp,gas	640.92	J/mol×K	810.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1R,3S,4S)-1,3-Dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]oct-5-ene.

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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