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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.12; 640.44]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.55600e+01
Coefficient B			1.39954e+00
Coefficient C			-9.46440e-04
Coefficient D			2.52900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.12	J/mol×K	273.00	Calculated Property
Cp,gas	322.31	J/mol×K	353.78	Calculated Property
Cp,gas	384.65	J/mol×K	434.56	Calculated Property
Cp,gas	438.94	J/mol×K	515.33	Calculated Property
Cp,gas	485.98	J/mol×K	596.11	Calculated Property
Cp,gas	526.57	J/mol×K	676.89	Calculated Property
Cp,gas	561.51	J/mol×K	757.67	Calculated Property
Cp,gas	591.60	J/mol×K	838.44	Calculated Property
Cp,gas	617.65	J/mol×K	919.22	Calculated Property
Cp,gas	640.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020964; 0.0013894]	Pa×s	[400.68; 601.24]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-7.40059e+00
Coefficient B			4.94060e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			400.68
Temperature range, max.			601.24
η	0.0020964	Pa×s	400.68	Calculated Property
η	0.0019645	Pa×s	422.96	Calculated Property
η	0.0018530	Pa×s	445.25	Calculated Property
η	0.0017575	Pa×s	467.53	Calculated Property
η	0.0016750	Pa×s	489.82	Calculated Property
η	0.0016031	Pa×s	512.10	Calculated Property
η	0.0015399	Pa×s	534.39	Calculated Property
η	0.0014839	Pa×s	556.67	Calculated Property
η	0.0014341	Pa×s	578.95	Calculated Property
η	0.0013894	Pa×s	601.24	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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