Chemical Properties of 1,4-Dioxane-2,6-dione

InChI

InChI=1S/C4H4O4/c5-3-1-7-2-4(6)8-3/h1-2H2

InChI Key

PIYNUZCGMLCXKJ-UHFFFAOYSA-N

Formula

C4H4O4

SMILES

O=C1COCC(=O)O1

Molecular Weight¹

116.07

Other Names

• Diglycolic anhydride
• Acetic acid, oxydi-, cyclic anhydride
• p-Dioxane-2,6-dione
• Acetic acid, 2,2'-oxybis-, cyclic anhydride
• Diglycolic acid anhydride
• Oxydiacetic anhydride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[147.51; 191.91]	J/mol×K	[459.79; 680.89]
Cp,gas	147.51	J/mol×K	459.79	Joback Calculated Property
Cp,gas	155.89	J/mol×K	496.64	Joback Calculated Property
Cp,gas	163.89	J/mol×K	533.49	Joback Calculated Property
Cp,gas	171.51	J/mol×K	570.34	Joback Calculated Property
Cp,gas	178.73	J/mol×K	607.19	Joback Calculated Property
Cp,gas	185.53	J/mol×K	644.04	Joback Calculated Property
Cp,gas	191.91	J/mol×K	680.89	Joback Calculated Property
ΔsubH	84.20 ± 1.10	kJ/mol	342.50	NIST

Similar Compounds

Find more compounds similar to 1,4-Dioxane-2,6-dione.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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