Chemical Properties of 1,4-Dioxane-2,5-dione

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

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).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor 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_triple : Triple Point Temperature (K).
• 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
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°	14.02	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°	64.15	kJ/mol	Relay (1.0) Calculated Property
IE	10.38	eV	Relay (1.0) Calculated Property
logPoct/wat	-0.914		Crippen Calculated Property
McVol	71.240	ml/mol	McGowan 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	532.18	K	Relay (1.0) Calculated Property
Ttriple	[316.55; 356.20]	K
Ttriple	316.55	K	Thermodynamic properties of enantiotropic polymorphs of glycolide
Ttriple	317.51	K	Estimation and confirmation of the thermodynamic stability relationships of the enantiotropic polymorphs of glycolide
Ttriple	356.20 ± 0.10	K	NIST
Ttriple	356.20 ± 0.20	K	NIST
Ttriple	356.20 ± 0.10	K	NIST
Ttriple	356.20 ± 0.20	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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,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
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[102.20; 213.21]	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			-9.90000e-01
Coefficient B			4.61200e-01
Coefficient C			-3.26600e-04
Coefficient D			7.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	102.20	J/mol×K	273.00	Calculated Property
Cp,gas	124.82	J/mol×K	353.78	Calculated Property
Cp,gas	144.28	J/mol×K	434.56	Calculated Property
Cp,gas	160.84	J/mol×K	515.33	Calculated Property
Cp,gas	174.74	J/mol×K	596.11	Calculated Property
Cp,gas	186.24	J/mol×K	676.89	Calculated Property
Cp,gas	195.58	J/mol×K	757.67	Calculated Property
Cp,gas	203.02	J/mol×K	838.44	Calculated Property
Cp,gas	208.81	J/mol×K	919.22	Calculated Property
Cp,gas	213.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025834; 0.0004715]	Pa×s	[245.20; 425.25]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.97579e+00
Coefficient B			9.85000e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			245.20
Temperature range, max.			425.25
η	0.0025834	Pa×s	245.20	Calculated Property
η	0.0019080	Pa×s	265.21	Calculated Property
η	0.0014704	Pa×s	285.21	Calculated Property
η	0.0011725	Pa×s	305.22	Calculated Property
η	0.0009614	Pa×s	325.22	Calculated Property
η	0.0008067	Pa×s	345.23	Calculated Property
η	0.0006899	Pa×s	365.23	Calculated Property
η	0.0005998	Pa×s	385.24	Calculated Property
η	0.0005287	Pa×s	405.25	Calculated Property
η	0.0004715	Pa×s	425.25	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.67; 99.87]	kPa	[376.00; 513.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64847e+01
Coefficient B			-5.48729e+03
Coefficient C			-5.11390e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			376.00
Temperature range, max.			513.00
Pvap	0.67	kPa	376.00	Calculated Property
Pvap	1.42	kPa	391.22	Calculated Property
Pvap	2.83	kPa	406.44	Calculated Property
Pvap	5.34	kPa	421.67	Calculated Property
Pvap	9.58	kPa	436.89	Calculated Property
Pvap	16.44	kPa	452.11	Calculated Property
Pvap	27.12	kPa	467.33	Calculated Property
Pvap	43.18	kPa	482.56	Calculated Property
Pvap	66.62	kPa	497.78	Calculated Property
Pvap	99.87	kPa	513.00	Calculated Property

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
• 2-Propanol + 1,4-Dioxane-2,5-dione
• 1,4-Dioxane-2,5-dione + Ethanol
• 1,4-Dioxane-2,5-dione + 1-Butanol

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
• 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

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.
These property values are available through the Cheméo API. A free account gives you an access key.