Chemical Properties of Dehydrocostunolide

InChI

InChI=1S/C15H18O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,8-9,14H,3-4,6-7H2,1-2H3/b10-5-,11-9+,13-8-/t14-/m0/s1

InChI Key

XBKBURWTMWWJNA-YHACVWLESA-N

Formula

C15H18O2

SMILES

C=C1C(=O)OC2C=C(C)CCC=C(C)CC=C12

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	[251.15; 628.08]	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			-2.88400e+01
Coefficient B			1.19034e+00
Coefficient C			-6.29720e-04
Coefficient D			9.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.15	J/mol×K	273.00	Calculated Property
Cp,gas	317.72	J/mol×K	353.78	Calculated Property
Cp,gas	377.42	J/mol×K	434.56	Calculated Property
Cp,gas	430.53	J/mol×K	515.33	Calculated Property
Cp,gas	477.36	J/mol×K	596.11	Calculated Property
Cp,gas	518.23	J/mol×K	676.89	Calculated Property
Cp,gas	553.43	J/mol×K	757.67	Calculated Property
Cp,gas	583.27	J/mol×K	838.44	Calculated Property
Cp,gas	608.05	J/mol×K	919.22	Calculated Property
Cp,gas	628.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014602; 0.0002313]	Pa×s	[377.18; 614.01]	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			-1.13066e+01
Coefficient B			1.80194e+03
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.			377.18
Temperature range, max.			614.01
η	0.0014602	Pa×s	377.18	Calculated Property
η	0.0010693	Pa×s	403.49	Calculated Property
η	0.0008135	Pa×s	429.81	Calculated Property
η	0.0006387	Pa×s	456.12	Calculated Property
η	0.0005149	Pa×s	482.44	Calculated Property
η	0.0004244	Pa×s	508.75	Calculated Property
η	0.0003566	Pa×s	535.07	Calculated Property
η	0.0003045	Pa×s	561.38	Calculated Property
η	0.0002638	Pa×s	587.70	Calculated Property
η	0.0002313	Pa×s	614.01	Calculated Property

Similar Compounds

Find more compounds similar to Dehydrocostunolide.

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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