Chemical Properties of 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, [1R-[1«alpha»,5«alpha»,8S*(2Z,4E)]]- (CAS 24394-14-7)

InChI

InChI=1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6+

InChI Key

IZGYIFFQBZWOLJ-UMCKCUICSA-N

Formula

C15H20O5

SMILES

CC(C=CC1(O)C2(C)COC1(C)CC(=O)C2)=CC(=O)O

Molecular Weight¹

280.32

CAS

24394-14-7

Other Names

• 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-
• Phaseic acid
• 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, [1R-[1«alpha»,5«alpha»,8S*(Z,E)]]-
• 6-Oxabicyclo[3.2.1]octane, 2,4-pentadienoic acid deriv.
• Me-phaseic acid

• 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

Property	Value	Unit	Source
ΔfusH°	29.67	kJ/mol	Joback Calculated Property
logPoct/wat	1.463		Crippen Calculated Property
McVol	212.640	ml/mol	McGowan Calculated Property
Inp	[2094.00; 2094.00]
Inp	2094.00		NIST
Inp	2094.00		NIST

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	[712.40; 883.45]	J/mol×K	[901.53; 1137.53]
Cp,gas	712.40	J/mol×K	901.53	Joback Calculated Property
Cp,gas	734.46	J/mol×K	940.86	Joback Calculated Property
Cp,gas	758.53	J/mol×K	980.20	Joback Calculated Property
Cp,gas	785.03	J/mol×K	1019.53	Joback Calculated Property
Cp,gas	814.39	J/mol×K	1058.86	Joback Calculated Property
Cp,gas	847.05	J/mol×K	1098.20	Joback Calculated Property
Cp,gas	883.45	J/mol×K	1137.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, [1R-[1«alpha»,5«alpha»,8S*(2Z,4E)]]-.

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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