Chemical Properties of Dehydroacetic Acid (CAS 520-45-6)

InChI

InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3

InChI Key

PGRHXDWITVMQBC-UHFFFAOYSA-N

Formula

C8H8O4

SMILES

CC(=O)C1C(=O)C=C(C)OC1=O

Molecular Weight¹

168.15

CAS

520-45-6

Other Names

• 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-
• Dehydracetic acid
• DHA
• DHS
• 3-Acetyl-6-Methyldihydropyrandione-2,4(3H)
• 4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, «delta»-lactone
• Methylacetopyronone
• 2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, «delta»-lactone
• 3-Acetyl-6-methyl-2,4(3H)-pyrandione
• 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione
• 3-Acetyl-6-methylpyrandione-2,4
• 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one
• 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, enol form
• Kyselina dehydroacetova
• DHAA
• 3-Acetyl-6-methyl-pyran-2,4-dione
• 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, ion(1-)
• 3-Acetyl-6-methyl-2,3-dihydropyran-2,4-dione
• Acetic acid, dehydro-
• Biocide 470F
• NSC 8770

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[301.05; 368.83]	J/mol×K	[622.59; 867.62]
Cp,gas	301.05	J/mol×K	622.59	Joback Calculated Property
Cp,gas	314.52	J/mol×K	663.43	Joback Calculated Property
Cp,gas	327.21	J/mol×K	704.27	Joback Calculated Property
Cp,gas	339.05	J/mol×K	745.11	Joback Calculated Property
Cp,gas	349.99	J/mol×K	785.95	Joback Calculated Property
Cp,gas	359.94	J/mol×K	826.78	Joback Calculated Property
Cp,gas	368.83	J/mol×K	867.62	Joback Calculated Property
ΔvapH	62.10	kJ/mol	453.00	NIST

Similar Compounds

Find more compounds similar to Dehydroacetic Acid.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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