Chemical Properties of 2H-Pyran-2,6(3H)-dione, dihydro- (CAS 108-55-4)

InChI

InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2

InChI Key

VANNPISTIUFMLH-UHFFFAOYSA-N

Formula

C5H6O3

SMILES

O=C1CCCC(=O)O1

Molecular Weight¹

114.10

CAS

108-55-4

Other Names

• Anhydrid kyseliny glutarove
• Dihydro-2H-pyran-2,6(3H)-dione
• glutaric acid anhydride
• glutaric anhydride
• pentanedioic acid, anhydride
• pentanedioic anhydride

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_subH° : Enthalpy of sublimation at standard conditions (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_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• 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
ΔcH°solid	-2206.50 ± 0.60	kJ/mol	NIST
ΔfH°gas	-532.40 ± 1.80	kJ/mol	NIST
ΔfH°solid	-618.50 ± 0.90	kJ/mol	NIST
ΔfusH°	7.55	kJ/mol	Joback Calculated Property
ΔsubH°	[86.10; 86.10]	kJ/mol
ΔsubH°	86.10 ± 1.60	kJ/mol	NIST
ΔsubH°	86.10 ± 1.60	kJ/mol	NIST
ΔsubH°	86.10	kJ/mol	NIST
ΔvapH°	54.46	kJ/mol	Relay (1.0) Calculated Property
IE	11.17	eV	NIST
logPoct/wat	0.240		Crippen Calculated Property
McVol	79.460	ml/mol	McGowan Calculated Property
Pc	4627.70	kPa	Joback Calculated Property
Tboil	560.15	K	NIST
Tc	740.09	K	Relay (1.0) Calculated Property
Tfus	325.15	K	NIST
Ttriple	329.20	K	Solubility Determination and Thermodynamic Modeling of Glutaric Anhydride in Diverse Solvent Systems Consisting of Acetic Acid, Ethanoic Anhydride, and Tetrachloromethane from T = (278.45 to 324.45) K

Cheméo can also estimate 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	[160.76; 214.00]	J/mol×K	[455.72; 674.71]
Cp,gas	160.76	J/mol×K	455.72	Joback Calculated Property
Cp,gas	170.82	J/mol×K	492.22	Joback Calculated Property
Cp,gas	180.41	J/mol×K	528.72	Joback Calculated Property
Cp,gas	189.54	J/mol×K	565.22	Joback Calculated Property
Cp,gas	198.18	J/mol×K	601.71	Joback Calculated Property
Cp,gas	206.34	J/mol×K	638.21	Joback Calculated Property
Cp,gas	214.00	J/mol×K	674.71	Joback Calculated Property
ΔsubH	85.90 ± 1.60	kJ/mol	309.00	NIST
ΔvapH	60.90	kJ/mol	466.50	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[423.20; 440.50]	K	[1.30; 2.70]
Tboilr	423.20	K	1.30	NIST
Tboilr	440.50 ± 2.50	K	2.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[423.88; 597.14]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60108e+01
Coefficient B			-5.80167e+03
Coefficient C			-5.48940e+01
Temperature range, min.			423.88
Temperature range, max.			597.14
Pvap	1.33	kPa	423.88	Calculated Property
Pvap	2.91	kPa	443.13	Calculated Property
Pvap	5.89	kPa	462.38	Calculated Property
Pvap	11.19	kPa	481.63	Calculated Property
Pvap	20.13	kPa	500.88	Calculated Property
Pvap	34.49	kPa	520.14	Calculated Property
Pvap	56.60	kPa	539.39	Calculated Property
Pvap	89.45	kPa	558.64	Calculated Property
Pvap	136.68	kPa	577.89	Calculated Property
Pvap	202.64	kPa	597.14	Calculated Property
Pvap	[5.12e-03; 5786.20]	kPa	[328.00; 838.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.65423e+01
Coefficient B			-1.19239e+04
Coefficient C			-1.13780e+01
Coefficient D			4.18011e-06
Temperature range, min.			328.00
Temperature range, max.			838.00
Pvap	5.12e-03	kPa	328.00	Calculated Property
Pvap	0.21	kPa	384.67	Calculated Property
Pvap	2.85	kPa	441.33	Calculated Property
Pvap	19.51	kPa	498.00	Calculated Property
Pvap	84.82	kPa	554.67	Calculated Property
Pvap	271.12	kPa	611.33	Calculated Property
Pvap	700.37	kPa	668.00	Calculated Property
Pvap	1557.57	kPa	724.67	Calculated Property
Pvap	3116.07	kPa	781.33	Calculated Property
Pvap	5786.20	kPa	838.00	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-2,6(3H)-dione, dihydro-.

Mixtures

• 2H-Pyran-2,6(3H)-dione, dihydro- + Carbon Tetrachloride
• 2H-Pyran-2,6(3H)-dione, dihydro- + Acetic acid + Carbon Tetrachloride
• 2H-Pyran-2,6(3H)-dione, dihydro- + Acetic acid
• Acetic anhydride + 2H-Pyran-2,6(3H)-dione, dihydro- + Carbon Tetrachloride
• Acetic anhydride + 2H-Pyran-2,6(3H)-dione, dihydro-
• Acetic anhydride + 2H-Pyran-2,6(3H)-dione, dihydro- + Acetic acid

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility Determination and Thermodynamic Modeling of Glutaric Anhydride in Diverse Solvent Systems Consisting of Acetic Acid, Ethanoic Anhydride, and Tetrachloromethane from T = (278.45 to 324.45) K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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