Chemical Properties of 1,3-Dioxolan-2-one (CAS 96-49-1)

InChI

InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2

InChI Key

KMTRUDSVKNLOMY-UHFFFAOYSA-N

Formula

C3H4O3

SMILES

O=C1OCCO1

Molecular Weight¹

88.06

CAS

96-49-1

Other Names

• 1,3-Dioxacyclopentan-2-one
• 2-Dioxolone
• Carbonic acid, cyclic ethylene ester
• Cyclic ethylene carbonate
• Dioxolone-2
• Ethylene glycol, cyclic carbonate
• Ethylenester kyseliny uhlicite
• Glycol carbonate
• NSC 11801
• Texacar EC
• carbonic acid, ethylene ester
• ethylene carbonate
• ethylene glycol carbonate

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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 a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• ρ_s : Solid Density (kg/m³).
• 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	814.20	kJ/mol	NIST
BasG	784.40	kJ/mol	NIST
ΔcH°liquid	-1069.30 ± 2.10	kJ/mol	NIST
ΔcH°solid	[-1171.32; -1161.40]	kJ/mol
ΔcH°solid	-1161.40	kJ/mol	NIST
ΔcH°solid	-1165.90 ± 3.70	kJ/mol	NIST
ΔcH°solid	-1170.60 ± 0.40	kJ/mol	NIST
ΔcH°solid	-1171.32	kJ/mol	NIST
ΔfH°gas	-503.00 ± 4.20	kJ/mol	NIST
ΔfH°liquid	-682.80 ± 2.10	kJ/mol	NIST
ΔfH°solid	[-590.90; -581.60]	kJ/mol
ΔfH°solid	-590.90	kJ/mol	NIST
ΔfH°solid	-586.30 ± 3.80	kJ/mol	NIST
ΔfH°solid	-581.60 ± 0.40	kJ/mol	NIST
ΔfusH°	11.86	kJ/mol	Joback Calculated Property
ΔvapH°	[60.80; 179.80]	kJ/mol
ΔvapH°	60.80 ± 0.10	kJ/mol	NIST
ΔvapH°	64.00 ± 0.10	kJ/mol	NIST
ΔvapH°	63.40 ± 0.30	kJ/mol	NIST
ΔvapH°	78.50 ± 4.20	kJ/mol	NIST
ΔvapH°	Outlier 179.80	kJ/mol	NIST
ΔvapH°	62.40	kJ/mol	NIST
IE	[10.40; 11.47]	eV
IE	10.40	eV	NIST
IE	10.40	eV	NIST
IE	10.70	eV	NIST
IE	11.10	eV	NIST
IE	11.47	eV	NIST
logPoct/wat	0.153		Crippen Calculated Property
McVol	55.580	ml/mol	McGowan Calculated Property
S°solid,1 bar	[132.54; 132.54]	J/mol×K
S°solid,1 bar	132.54	J/mol×K	NIST
S°solid,1 bar	132.54	J/mol×K	NIST
Tboil	492.43	K	Relay (1.0) Calculated Property
Tc	786.00	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tfus	[308.53; 312.95]	K
Tfus	308.53	K	Efficient determination of crystallisation and melting points at low cooling and heating rates with novel computer controlled equipment
Tfus	311.15	K	Characterization on the exothermic behaviors of cathode materials reacted with ethylene carbonate in lithium-ion battery studied by differential scanning calorimeter (DSC)
Tfus	309.13	K	Vapor Pressures and Thermophysical Properties of Ethylene Carbonate, Propylene Carbonate, -Valerolactone, and -Butyrolactone
Tfus	308.90 ± 0.80	K	NIST
Tfus	Outlier 312.95 ± 0.20	K	NIST
Tfus	309.65 ± 0.15	K	NIST
Tfus	309.45 ± 0.20	K	NIST
Tfus	311.15 ± 1.50	K	NIST
Tfus	308.95 ± 0.50	K	NIST
Tfus	309.50 ± 0.60	K	NIST
Ttriple	[309.47; 309.49]	K
Ttriple	309.49	K	KDB
Ttriple	309.47 ± 0.00	K	NIST
Ttriple	309.49 ± 0.02	K	NIST

Cheméo can also estimate 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,gas	[105.45; 147.91]	J/mol×K	[409.71; 635.21]
Cp,gas	105.45	J/mol×K	409.71	Joback Calculated Property
Cp,gas	113.28	J/mol×K	447.29	Joback Calculated Property
Cp,gas	120.83	J/mol×K	484.88	Joback Calculated Property
Cp,gas	128.08	J/mol×K	522.46	Joback Calculated Property
Cp,gas	135.02	J/mol×K	560.05	Joback Calculated Property
Cp,gas	141.63	J/mol×K	597.63	Joback Calculated Property
Cp,gas	147.91	J/mol×K	635.21	Joback Calculated Property
Cp,liquid	[133.90; 158.51]	J/mol×K	[323.15; 398.15]
Cp,liquid	133.90	J/mol×K	323.15	NIST
Cp,liquid	155.87	J/mol×K	383.15	Vapor Pressure and Liquid Heat Capacity of Alkylene Carbonates
Cp,liquid	156.75	J/mol×K	388.15	Vapor Pressure and Liquid Heat Capacity of Alkylene Carbonates
Cp,liquid	157.63	J/mol×K	393.15	Vapor Pressure and Liquid Heat Capacity of Alkylene Carbonates
Cp,liquid	158.51	J/mol×K	398.15	Vapor Pressure and Liquid Heat Capacity of Alkylene Carbonates
Cp,solid	[117.44; 117.44]	J/mol×K	[298.15; 298.15]
Cp,solid	117.44	J/mol×K	298.15	NIST
Cp,solid	117.44	J/mol×K	298.15	NIST
ΔfusH	[13.02; 13.30]	kJ/mol	[309.49; 311.20]
ΔfusH	13.29	kJ/mol	309.49	NIST
ΔfusH	13.29	kJ/mol	309.49	NIST
ΔfusH	13.30	kJ/mol	309.50	NIST
ΔfusH	13.30	kJ/mol	309.50	NIST
ΔfusH	13.02	kJ/mol	311.20	NIST
ΔsubH	68.70	kJ/mol	285.00	NIST
ΔvapH	[55.00; 60.30]	kJ/mol	[400.50; 423.00]
ΔvapH	55.00	kJ/mol	400.50	NIST
ΔvapH	60.30	kJ/mol	408.50	NIST
ΔvapH	56.30	kJ/mol	408.50	NIST
ΔvapH	59.60	kJ/mol	409.00	NIST
ΔvapH	56.48	kJ/mol	423.00	NIST
Pvap	[0.01; 0.47]	kPa	[310.30; 369.50]
Pvap	0.01	kPa	310.30	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.02	kPa	314.40	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.02	kPa	314.50	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.02	kPa	317.30	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.02	kPa	320.30	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.02	kPa	320.40	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.03	kPa	323.50	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.03	kPa	324.40	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.04	kPa	327.40	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.04	kPa	328.60	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.05	kPa	331.30	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.04	kPa	333.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	0.06	kPa	333.60	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.07	kPa	335.40	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.07	kPa	338.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	0.08	kPa	338.70	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.10	kPa	341.40	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.10	kPa	342.30	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.09	kPa	343.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	0.11	kPa	343.80	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.12	kPa	345.20	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.14	kPa	347.60	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.12	kPa	348.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	0.15	kPa	349.00	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.19	kPa	352.40	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.17	kPa	353.15	Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
Pvap	0.20	kPa	354.00	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.25	kPa	357.50	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.26	kPa	358.90	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.29	kPa	360.60	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.33	kPa	363.20	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.35	kPa	364.10	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.40	kPa	366.70	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
Pvap	0.47	kPa	369.50	Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
ρl	[1315.70; 1350.00]	kg/m3	[298.15; 318.15]
ρl	1350.00	kg/m3	298.15	Low pressure carbon dioxide solubility in lithium-ion batteries based electrolytes as a function of temperature. Measurement and prediction
ρl	1315.70	kg/m3	318.15	Solid-liquid equilibria and thermo-physical properties of liquid electrolyte systems for lithium ion batteries
ρs	1320.00	kg/m3	293.00	Cyclic alkylene carbonates. Experiment and first principle calculations for prediction of thermochemical properties
ΔfusS	[42.96; 42.96]	J/mol×K	[309.49; 309.49]
ΔfusS	42.96	J/mol×K	309.49	NIST
ΔfusS	42.96	J/mol×K	309.49	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 226.20]	kPa	[391.32; 552.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.59477e+01
Coefficient B			-5.16933e+03
Coefficient C			-6.12240e+01
Temperature range, min.			391.32
Temperature range, max.			552.31
Pvap	1.33	kPa	391.32	Calculated Property
Pvap	2.98	kPa	409.21	Calculated Property
Pvap	6.17	kPa	427.10	Calculated Property
Pvap	11.91	kPa	444.98	Calculated Property
Pvap	21.70	kPa	462.87	Calculated Property
Pvap	37.57	kPa	480.76	Calculated Property
Pvap	62.18	kPa	498.65	Calculated Property
Pvap	98.92	kPa	516.53	Calculated Property
Pvap	151.94	kPa	534.42	Calculated Property
Pvap	226.20	kPa	552.31	Calculated Property
Pvap	[6.83e-03; 6634.23]	kPa	[309.55; 790.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.59483e+01
Coefficient B			-1.14946e+04
Coefficient C			-1.11778e+01
Coefficient D			3.17385e-06
Temperature range, min.			309.55
Temperature range, max.			790.00
Pvap	6.83e-03	kPa	309.55	Calculated Property
Pvap	0.30	kPa	362.93	Calculated Property
Pvap	4.35	kPa	416.32	Calculated Property
Pvap	30.24	kPa	469.70	Calculated Property
Pvap	130.53	kPa	523.08	Calculated Property
Pvap	406.10	kPa	576.47	Calculated Property
Pvap	1003.29	kPa	629.85	Calculated Property
Pvap	2100.77	kPa	683.23	Calculated Property
Pvap	3900.82	kPa	736.62	Calculated Property
Pvap	6634.23	kPa	790.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxolan-2-one.

Mixtures

• Tetrahydrofuran + 1,3-Dioxolan-2-one
• Acetonitrile + 1,3-Dioxolan-2-one
• Ethyl Acetate + 1,3-Dioxolan-2-one
• Ethane, 1,2-dimethoxy- + 1,3-Dioxolan-2-one
• lithium perchlorate + Tetrahydrofuran + 1,3-Dioxolan-2-one
• lithium bromide + Tetrahydrofuran + 1,3-Dioxolan-2-one
• Tetraethylammonium bromide + Tetrahydrofuran + 1,3-Dioxolan-2-one
• Tetra-N-butylammonium bromide + Tetrahydrofuran + 1,3-Dioxolan-2-one
• Acetonitrile + lithium perchlorate + 1,3-Dioxolan-2-one
• lithium bromide + Acetonitrile + 1,3-Dioxolan-2-one
• Acetonitrile + Tetraethylammonium bromide + 1,3-Dioxolan-2-one
• Acetonitrile + Tetra-N-butylammonium bromide + 1,3-Dioxolan-2-one
• Ethyl Acetate + lithium perchlorate + 1,3-Dioxolan-2-one
• lithium bromide + Ethyl Acetate + 1,3-Dioxolan-2-one
• Tetraethylammonium bromide + Ethyl Acetate + 1,3-Dioxolan-2-one
• Tetra-N-butylammonium bromide + Ethyl Acetate + 1,3-Dioxolan-2-one
• Ethane, 1,2-dimethoxy- + lithium perchlorate + 1,3-Dioxolan-2-one
• lithium bromide + Ethane, 1,2-dimethoxy- + 1,3-Dioxolan-2-one
• Tetraethylammonium bromide + Ethane, 1,2-dimethoxy- + 1,3-Dioxolan-2-one
• Tetra-N-butylammonium bromide + Ethane, 1,2-dimethoxy- + 1,3-Dioxolan-2-one

Find more mixtures with 1,3-Dioxolan-2-one.

Sources

• KDB Vapor Pressure Data
• 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
• Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates
• Thermodynamic of LiF dissolution in alkylcarbonates and some of their mixtures with water
• Solid-liquid equilibria and thermo-physical properties of liquid electrolyte systems for lithium ion batteries
• Thermophysical properties of 1-ethyl-3-methylimidazolium bromide ionic liquid in water + ethylene carbonate mixtures at T = (298.2, 308.2 and 318.2) K
• Standard partial molar volumes of some electrolytes in ethylene carbonate based mixtures
• Liquid + liquid equilibria for ternary mixtures of (solvent + aromatic hydrocarbon + alkane)
• Cyclic alkylene carbonates. Experiment and first principle calculations for prediction of thermochemical properties
• Efficient determination of crystallisation and melting points at low cooling and heating rates with novel computer controlled equipment
• Separation of aromatic hydrocarbons (toluene or benzene) from aliphatic hydrocarbon (n-heptane) by extraction with ethylene carbonate
• Low pressure carbon dioxide solubility in pure electrolyte solvents for lithium-ion batteries as a function of temperature. Measurement and prediction
• Low pressure carbon dioxide solubility in lithium-ion batteries based electrolytes as a function of temperature. Measurement and prediction
• Low pressure methane solubility in lithium-ion batteries based solvents and electrolytes as a function of temperature. Measurement and prediction
• Phase equilibrium and activity coefficients in ternary systems at 298.15 K: RbCl/CsCl + ethylene carbonate + water
• Liquid liquid equilibria for mixtures of (ethylene carbonate + aromatic hydrocarbon + cyclohexane)
• Characterization on the exothermic behaviors of cathode materials reacted with ethylene carbonate in lithium-ion battery studied by differential scanning calorimeter (DSC)
• Vapor Pressures and Thermophysical Properties of Ethylene Carbonate, Propylene Carbonate, -Valerolactone, and -Butyrolactone
• Measurement and Correlation of the Electrical Conductivity of the Ionic Liquid [BMIM][TFSI] in Binary Organic Solvents
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• Infinite Dilution Activity Coefficients in Ethylene Glycol and Ethylene Carbonate
• Vapor Pressure and Liquid Heat Capacity of Alkylene Carbonates
• Isobaric Vapor-Liquid Equilibria of Binary Mixtures Containing the Carbonate Group -OCOO-
• Phase Equilibria in Binary Mixtures of Water with Cyclic Alkylene Carbonates
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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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