Chemical Properties of 1,4-Dioxane-2,5-dione (CAS 502-97-6)

InChI

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

InChI Key

RKDVKSZUMVYZHH-UHFFFAOYSA-N

Formula

C4H4O4

SMILES

O=C1COC(=O)CO1

Molecular Weight¹

116.07

CAS

502-97-6

Other Names

• 1,4-dioxane, 2,5-dioxo-
• 2,5-dioxo-1,4-dioxane
• Acetic acid, hydroxy-, bimol. cyclic ester
• Glycollide
• glycolide
• p-Dioxane-2,5-dione

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-1445.40; -1441.80]	kJ/mol
ΔcH°solid	-1441.80 ± 0.60	kJ/mol	NIST
ΔcH°solid	-1445.40 ± 0.59	kJ/mol	NIST
ΔcH°solid	-1445.40 ± 0.60	kJ/mol	NIST
ΔfG°	-402.46	kJ/mol	Joback Calculated Property
ΔfH°gas	[-615.60; -611.90]	kJ/mol
ΔfH°gas	-615.60	kJ/mol	NIST
ΔfH°gas	-612.00 ± 1.40	kJ/mol	NIST
ΔfH°gas	-611.90	kJ/mol	NIST
ΔfH°solid	[-704.00; -700.30]	kJ/mol
ΔfH°solid	-704.00 ± 0.60	kJ/mol	NIST
ΔfH°solid	-700.40 ± 0.59	kJ/mol	NIST
ΔfH°solid	-700.30 ± 0.60	kJ/mol	NIST
ΔfusH°	11.86	kJ/mol	Joback Calculated Property
ΔsubH°	[88.40; 88.40]	kJ/mol
ΔsubH°	88.40 ± 0.80	kJ/mol	NIST
ΔsubH°	88.40	kJ/mol	NIST
ΔvapH°	42.75	kJ/mol	Joback Calculated Property
log10WS	0.88		Crippen Calculated Property
logPoct/wat	-0.914		Crippen Calculated Property
McVol	71.240	ml/mol	McGowan Calculated Property
Pc	5809.41	kPa	Joback Calculated Property
S°solid,1 bar	[157.20; 157.23]	J/mol×K
S°solid,1 bar	157.23	J/mol×K	NIST
S°solid,1 bar	157.20	J/mol×K	NIST
S°solid,1 bar	157.20	J/mol×K	NIST
S°solid,1 bar	157.20	J/mol×K	NIST
Tboil	504.68	K	Joback Calculated Property
Tc	755.81	K	Joback Calculated Property
Tfus	336.04	K	Joback Calculated Property
Ttriple	[316.55; 356.20]	K
Ttriple	316.55	K	Thermod...
Ttriple	317.51	K	Estimat...
Ttriple	356.20 ± 0.10	K	NIST
Ttriple	356.20 ± 0.20	K	NIST
Vc	0.249	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.52; 211.63]	J/mol×K	[504.68; 755.81]
Cp,gas	156.52	J/mol×K	504.68	Joback Calculated Property
Cp,gas	166.76	J/mol×K	546.54	Joback Calculated Property
Cp,gas	176.68	J/mol×K	588.39	Joback Calculated Property
Cp,gas	186.20	J/mol×K	630.25	Joback Calculated Property
Cp,gas	195.24	J/mol×K	672.10	Joback Calculated Property
Cp,gas	203.75	J/mol×K	713.96	Joback Calculated Property
Cp,gas	211.63	J/mol×K	755.81	Joback Calculated Property
Cp,solid	[133.20; 133.30]	J/mol×K	[298.15; 298.15]
Cp,solid	133.28	J/mol×K	298.15	NIST
Cp,solid	133.20	J/mol×K	298.15	NIST
Cp,solid	133.30	J/mol×K	298.15	NIST
Cp,solid	133.30	J/mol×K	298.15	NIST
ΔfusH	[1.81; 14.80]	kJ/mol	[312.10; 356.20]
ΔfusH	1.81	kJ/mol	312.10	NIST
ΔfusH	14.80	kJ/mol	356.20	NIST
ΔfusH	14.80	kJ/mol	356.20	NIST
ΔvapH	50.40	kJ/mol	444.50	NIST
ΔfusS	[5.82; 41.55]	J/mol×K	[312.10; 356.20]
ΔfusS	5.82	J/mol×K	312.10	NIST
ΔfusS	41.55	J/mol×K	356.20	NIST

Similar Compounds

Find more compounds similar to 1,4-Dioxane-2,5-dione.

Mixtures

• 1,4-Dioxane-2,5-dione + Ethyl Acetate
• 1-Propanol + 1,4-Dioxane-2,5-dione
• Isopropyl Alcohol + 1,4-Dioxane-2,5-dione
• 1,4-Dioxane-2,5-dione + Ethanol
• 1,4-Dioxane-2,5-dione + 1-Butanol

Sources

• Crippen Method
• Crippen Method
• Thermodynamic properties of enantiotropic polymorphs of glycolide
• Estimation and confirmation of the thermodynamic stability relationships of the enantiotropic polymorphs of glycolide
• Joback Method
• McGowan Method
• NIST Webbook

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