Chemical Properties of 9-Hydroxyselina-4,11-dien-14-oic acid

InChI

InChI=1S/C15H22O3/c1-9(2)10-7-12-11(14(17)18)5-4-6-15(12,3)13(16)8-10/h10,13,16H,1,4-8H2,2-3H3,(H,17,18)

InChI Key

HGHWFNSENQPIOA-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

C=C(C)C1CC2=C(C(=O)O)CCCC2(C)C(O)C1

Molecular Weight¹

250.34

• 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

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	[270.67; 737.06]	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			-1.32180e+02
Coefficient B			1.84734e+00
Coefficient C			-1.50560e-03
Coefficient D			5.27500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.67	J/mol×K	273.00	Calculated Property
Cp,gas	356.29	J/mol×K	353.78	Calculated Property
Cp,gas	429.56	J/mol×K	434.56	Calculated Property
Cp,gas	492.17	J/mol×K	515.33	Calculated Property
Cp,gas	545.77	J/mol×K	596.11	Calculated Property
Cp,gas	592.03	J/mol×K	676.89	Calculated Property
Cp,gas	632.62	J/mol×K	757.67	Calculated Property
Cp,gas	669.21	J/mol×K	838.44	Calculated Property
Cp,gas	703.47	J/mol×K	919.22	Calculated Property
Cp,gas	737.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 9-Hydroxyselina-4,11-dien-14-oic acid.

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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