Chemical Properties of Jalcaguaianolide

InChI

InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h5,11,13-14H,1,4,6-7H2,2-3H3/t11-,13-,14?/m1/s1

InChI Key

WAQFXLYLGJEYAW-AYBZEELNSA-N

Formula

C15H18O2

SMILES

C=C1CCC2=C(C)C(=O)OC2C2C(C)=CCC12

Molecular Weight¹

230.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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

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	[509.88; 598.55]	J/mol×K	[642.20; 858.91]
Cp,gas	509.88	J/mol×K	642.20	Joback Calculated Property
Cp,gas	527.23	J/mol×K	678.32	Joback Calculated Property
Cp,gas	543.46	J/mol×K	714.44	Joback Calculated Property
Cp,gas	558.64	J/mol×K	750.56	Joback Calculated Property
Cp,gas	572.83	J/mol×K	786.67	Joback Calculated Property
Cp,gas	586.11	J/mol×K	822.79	Joback Calculated Property
Cp,gas	598.55	J/mol×K	858.91	Joback Calculated Property
η	[0.0013185; 0.0020964]	Pa×s	[400.68; 642.20]
η	0.0020964	Pa×s	400.68	Joback Calculated Property
η	0.0018732	Pa×s	440.93	Joback Calculated Property
η	0.0017056	Pa×s	481.19	Joback Calculated Property
η	0.0015756	Pa×s	521.44	Joback Calculated Property
η	0.0014722	Pa×s	561.69	Joback Calculated Property
η	0.0013881	Pa×s	601.95	Joback Calculated Property
η	0.0013185	Pa×s	642.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Jalcaguaianolide.

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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