Chemical Properties of Propanedioic acid (CAS 141-82-2)

InChI

InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)

InChI Key

OFOBLEOULBTSOW-UHFFFAOYSA-N

Formula

C3H4O4

SMILES

O=C(O)CC(=O)O

Molecular Weight¹

104.06

CAS

141-82-2

Other Names

• CH2(COOH)2
• Kyselina malonova
• Methanedicarbonic acid
• NSC 8124
• USAF EK-695
• carboxyacetic acid
• dicarboxymethane
• malonic acid
• methanedicarboxylic acid

• ω : Acentric Factor.
• 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).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• 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_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).
• 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).
• P_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• γ : Surface Tension (N/m).
• 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).
• λ : Gas thermal conductivity (W/m×K).
• λ : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9418		ChemSep v8.3 pure component data
ΔcH°solid	[-861.57; -861.15]	kJ/mol
ΔcH°solid	-861.15 ± 0.63	kJ/mol	NIST
ΔcH°solid	-861.57 ± 0.63	kJ/mol	NIST
μ	2.57	debye	ChemSep v8.3 pure component data
ΔfG°	-670.00	kJ/mol	ChemSep v8.3 pure component data
ΔfH°gas	-812.00	kJ/mol	ChemSep v8.3 pure component data
ΔfH°solid	-891.10 ± 0.40	kJ/mol	NIST
ΔfusH°	23.81	kJ/mol	Joback Calculated Property
ΔsubH°	[105.10; 111.40]	kJ/mol
ΔsubH°	111.40 ± 0.70	kJ/mol	NIST
ΔsubH°	105.10 ± 0.80	kJ/mol	NIST
ΔvapH°	65.80	kJ/mol	Relay (1.0) Calculated Property
IE	11.05	eV	NIST
log10WS	-0.10		Relay (1.0) Calculated Property
logPoct/wat	-0.454		Crippen Calculated Property
McVol	68.010	ml/mol	McGowan Calculated Property
Pc	5640.00	kPa	ChemSep v8.3 pure component data
Ptriple	0.07	kPa	ChemSep v8.3 pure component data
S°solid,1 bar	149.00	J/mol×K	NIST
Tboil	413.15	K	ChemSep v8.3 pure component data
Tc	805.00	K	ChemSep v8.3 pure component data
Tfus	[407.90; 409.15]	K
Tfus	409.15	K	ChemSep v8.3 pure component data
Tfus	408.05 ± 0.30	K	NIST
Tfus	407.90 ± 0.30	K	NIST
Tfus	408.05 ± 0.30	K	NIST
Tfus	407.90 ± 0.30	K	NIST
Ttriple	407.95	K	ChemSep v8.3 pure component data
UQi	2.99		ChemSep v8.3 pure component data
URi	3.28		ChemSep v8.3 pure component data
Vc	0.258	m3/kmol	ChemSep v8.3 pure component data
Zc	0.2170000		ChemSep v8.3 pure component data

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	127.63	J/mol×K	298.15	NIST
ΔfusH	23.10	kJ/mol	407.50	NIST
ΔsubH	[72.70; 108.90]	kJ/mol	[305.50; 348.00]
ΔsubH	72.70	kJ/mol	305.50	NIST
ΔsubH	108.90 ± 0.70	kJ/mol	348.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[97.90; 205.17]	J/mol×K	[300.00; 1200.00]	ChemSep v8.3 pure component data
Equation			Y = A + B·((C/T)/sinh(C/T))² + D·((E/T)/cosh(E/T))² Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.95220e+01
Coefficient B			1.87180e+02
Coefficient C			1.29580e+03
Coefficient D			1.48520e+02
Coefficient E			5.69960e+02
Comment			ChemSep eq 107, IdealGasHeatCapacityCp
Temperature range, min.			300.00
Temperature range, max.			1200.00
Cp,gas	97.90	J/mol×K	300.00	Calculated Property
Cp,gas	123.98	J/mol×K	400.00	Calculated Property
Cp,gas	143.05	J/mol×K	500.00	Calculated Property
Cp,gas	157.94	J/mol×K	600.00	Calculated Property
Cp,gas	170.06	J/mol×K	700.00	Calculated Property
Cp,gas	180.03	J/mol×K	800.00	Calculated Property
Cp,gas	188.23	J/mol×K	900.00	Calculated Property
Cp,gas	194.98	J/mol×K	1000.00	Calculated Property
Cp,gas	200.56	J/mol×K	1100.00	Calculated Property
Cp,gas	205.17	J/mol×K	1200.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[212.13; 288.80]	J/mol×K	[407.95; 603.75]	ChemSep v8.3 pure component data
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.57850e+02
Coefficient B			-4.16190e-02
Coefficient C			4.28170e-04
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 100, LiquidHeatCapacityCp
Temperature range, min.			407.95
Temperature range, max.			603.75
Cp,liquid	212.13	J/mol×K	407.95	Calculated Property
Cp,liquid	219.03	J/mol×K	429.71	Calculated Property
Cp,liquid	226.33	J/mol×K	451.46	Calculated Property
Cp,liquid	234.04	J/mol×K	473.22	Calculated Property
Cp,liquid	242.15	J/mol×K	494.97	Calculated Property
Cp,liquid	250.67	J/mol×K	516.73	Calculated Property
Cp,liquid	259.59	J/mol×K	538.48	Calculated Property
Cp,liquid	268.92	J/mol×K	560.24	Calculated Property
Cp,liquid	278.66	J/mol×K	581.99	Calculated Property
Cp,liquid	288.80	J/mol×K	603.75	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019389; 0.0003593]	Pa×s	[404.15; 580.00]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.98340e+01
Coefficient B			2.78450e+03
Coefficient C			1.11610e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 101, LiquidViscosity
Temperature range, min.			404.15
Temperature range, max.			580.00
η	0.0019389	Pa×s	404.15	Calculated Property
η	0.0014875	Pa×s	423.69	Calculated Property
η	0.0011708	Pa×s	443.23	Calculated Property
η	0.0009423	Pa×s	462.77	Calculated Property
η	0.0007734	Pa×s	482.31	Calculated Property
η	0.0006457	Pa×s	501.84	Calculated Property
η	0.0005473	Pa×s	521.38	Calculated Property
η	0.0004702	Pa×s	540.92	Calculated Property
η	0.0004088	Pa×s	560.46	Calculated Property
η	0.0003593	Pa×s	580.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[90.03; 0.00]	kJ/mol	[407.95; 805.00]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			1.17670e+02
Coefficient B			3.78770e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			8.05000e+02
Comment			ChemSep eq 106, HeatOfVaporization
Temperature range, min.			407.95
Temperature range, max.			805.00
ΔvapH	90.03	kJ/mol	407.95	Calculated Property
ΔvapH	86.10	kJ/mol	452.07	Calculated Property
ΔvapH	81.86	kJ/mol	496.18	Calculated Property
ΔvapH	77.22	kJ/mol	540.30	Calculated Property
ΔvapH	72.06	kJ/mol	584.42	Calculated Property
ΔvapH	66.22	kJ/mol	628.53	Calculated Property
ΔvapH	59.39	kJ/mol	672.65	Calculated Property
ΔvapH	50.93	kJ/mol	716.77	Calculated Property
ΔvapH	39.17	kJ/mol	760.88	Calculated Property
ΔvapH	0.00	kJ/mol	805.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[423.32; 733.06]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.07123e+01
Coefficient B			-3.47121e+03
Coefficient C			-9.03390e+01
Temperature range, min.			423.32
Temperature range, max.			733.06
Pvap	1.33	kPa	423.32	Calculated Property
Pvap	3.54	kPa	457.74	Calculated Property
Pvap	7.95	kPa	492.15	Calculated Property
Pvap	15.72	kPa	526.57	Calculated Property
Pvap	28.13	kPa	560.98	Calculated Property
Pvap	46.50	kPa	595.40	Calculated Property
Pvap	72.08	kPa	629.81	Calculated Property
Pvap	106.03	kPa	664.23	Calculated Property
Pvap	149.29	kPa	698.64	Calculated Property
Pvap	202.64	kPa	733.06	Calculated Property
Pvap	[0.07; 5652.13]	kPa	[407.95; 805.00]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			1.16012e+02
Coefficient B			-1.62580e+04
Coefficient C			-1.31130e+01
Coefficient D			2.06090e-18
Coefficient E			6.00000e+00
Comment			ChemSep eq 101, VaporPressure
Temperature range, min.			407.95
Temperature range, max.			805.00
Pvap	0.07	kPa	407.95	Calculated Property
Pvap	0.90	kPa	452.07	Calculated Property
Pvap	6.59	kPa	496.18	Calculated Property
Pvap	31.95	kPa	540.30	Calculated Property
Pvap	114.13	kPa	584.42	Calculated Property
Pvap	323.95	kPa	628.53	Calculated Property
Pvap	773.84	kPa	672.65	Calculated Property
Pvap	1627.16	kPa	716.77	Calculated Property
Pvap	3124.25	kPa	760.88	Calculated Property
Pvap	5652.13	kPa	805.00	Calculated Property
Pvap	[1.34e-04; 2.04e-03]	kPa	[291.15; 320.15]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			2.11442e+01
Coefficient B			-8.74805e+03
Coefficient C			-2.54993e-03
Coefficient D			4.32749e-09
Coefficient E			0.00000e+00
Temperature range, min.			291.15
Temperature range, max.			320.15
Pvap	1.34e-04	kPa	291.15	Calculated Property
Pvap	1.86e-04	kPa	294.37	Calculated Property
Pvap	2.57e-04	kPa	297.59	Calculated Property
Pvap	3.52e-04	kPa	300.82	Calculated Property
Pvap	4.80e-04	kPa	304.04	Calculated Property
Pvap	6.48e-04	kPa	307.26	Calculated Property
Pvap	8.71e-04	kPa	310.48	Calculated Property
Pvap	1.16e-03	kPa	313.71	Calculated Property
Pvap	1.55e-03	kPa	316.93	Calculated Property
Pvap	2.04e-03	kPa	320.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[1408.29; 404.09]	kg/m3	[407.95; 805.00]	ChemSep v8.3 pure component data
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			8.76880e+01
Coefficient B			2.17000e-01
Coefficient C			8.05000e+02
Coefficient D			2.85710e-01
Comment			ChemSep eq 105, LiquidDensity
Temperature range, min.			407.95
Temperature range, max.			805.00
ρl	1408.29	kg/m3	407.95	Calculated Property
ρl	1351.29	kg/m3	452.07	Calculated Property
ρl	1291.59	kg/m3	496.18	Calculated Property
ρl	1228.52	kg/m3	540.30	Calculated Property
ρl	1161.10	kg/m3	584.42	Calculated Property
ρl	1087.82	kg/m3	628.53	Calculated Property
ρl	1006.06	kg/m3	672.65	Calculated Property
ρl	910.52	kg/m3	716.77	Calculated Property
ρl	786.87	kg/m3	760.88	Calculated Property
ρl	404.09	kg/m3	805.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.05; 0.00]	N/m	[407.95; 805.00]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is γ in N/m, T in K
Coefficient A			1.21080e-01
Coefficient B			1.29770e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			8.05000e+02
Comment			ChemSep eq 106, SurfaceTension
Temperature range, min.			407.95
Temperature range, max.			805.00
γ	0.05	N/m	407.95	Calculated Property
γ	0.04	N/m	452.07	Calculated Property
γ	0.03	N/m	496.18	Calculated Property
γ	0.03	N/m	540.30	Calculated Property
γ	0.02	N/m	584.42	Calculated Property
γ	0.02	N/m	628.53	Calculated Property
γ	0.01	N/m	672.65	Calculated Property
γ	0.01	N/m	716.77	Calculated Property
γ	0.00	N/m	760.88	Calculated Property
γ	0.00	N/m	805.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.03; 0.05]	W/m×K	[580.00; 1000.00]	ChemSep v8.3 pure component data
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K
Coefficient A			3.30750e-04
Coefficient B			8.18950e-01
Coefficient C			7.77750e+02
Coefficient D			0.00000e+00
Comment			ChemSep eq 102, VaporThermalConductivity
Temperature range, min.			580.00
Temperature range, max.			1000.00
λ	0.03	W/m×K	580.00	Calculated Property
λ	0.03	W/m×K	626.67	Calculated Property
λ	0.03	W/m×K	673.33	Calculated Property
λ	0.03	W/m×K	720.00	Calculated Property
λ	0.04	W/m×K	766.67	Calculated Property
λ	0.04	W/m×K	813.33	Calculated Property
λ	0.04	W/m×K	860.00	Calculated Property
λ	0.05	W/m×K	906.67	Calculated Property
λ	0.05	W/m×K	953.33	Calculated Property
λ	0.05	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.18; 0.12]	W/m×K	[407.95; 644.00]	ChemSep v8.3 pure component data
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λ in W/m×K, T in K
Coefficient A			2.89180e-01
Coefficient B			-2.61400e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 100, LiquidThermalConductivity
Temperature range, min.			407.95
Temperature range, max.			644.00
λ	0.18	W/m×K	407.95	Calculated Property
λ	0.18	W/m×K	434.18	Calculated Property
λ	0.17	W/m×K	460.41	Calculated Property
λ	0.16	W/m×K	486.63	Calculated Property
λ	0.16	W/m×K	512.86	Calculated Property
λ	0.15	W/m×K	539.09	Calculated Property
λ	0.14	W/m×K	565.32	Calculated Property
λ	0.13	W/m×K	591.54	Calculated Property
λ	0.13	W/m×K	617.77	Calculated Property
λ	0.12	W/m×K	644.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanedioic acid.

Mixtures

• Propanedioic acid + Ethanol
• Propanedioic acid + Acetic acid
• Propanedioic acid + Acetone
• Propanedioic acid + Ethyl Acetate
• Choline chloride + Propanedioic acid
• Choline chloride + Propanedioic acid + Water
• Propanedioic acid + Water
• Propanedioic acid + 1,4-Dioxane
• Acetonitrile + Propanedioic acid
• 2-Propanol + Propanedioic acid
• Propanedioic acid + Tetrahydrofuran
• Propanoic acid, ethyl ester + Choline chloride + Propanedioic acid
• Propanoic acid, propyl ester + Choline chloride + Propanedioic acid
• Propanedioic acid + 1-Octanol + Water
• Methyl Isobutyl Ketone + Propanedioic acid + Water
• Propanedioic acid + Heptane + Water
• Tetra-N-butylammonium chloride + Propanedioic acid
• Propanedioic acid + METHYLTRIPHENYLPHOSPHONIUM BROMIDE

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Solubility of citric, malonic, and malic acids in different solvents from 303.2 to 333.2 K
• Experiment and correlation of osmotic coefficient for aqueous solution of carboxylic acids using NRTL nonrandom factor model
• Experimental determination and correlation of acetaminophen solubility in aqueous solutions of choline chloride based deep eutectic solvents at various temperatures
• Henry s constant of carbon dioxide-aqueous deep eutectic solvent (choline chloride/ethylene glycol, choline chloride/glycerol, choline chloride/malonic acid) systems
• An odd-even effect on solubility of dicarboxylic acids in organic solvents
• Volumetric properties of aqueous solutions of malonic acid
• Molar enthalpy of mixing and refractive indices of choline chloride-based deep eutectic solvents with water
• Liquid-liquid equilibrium of alcohol-ester systems with deep eutectic solvent on the base of choline chloride
• Vapor pressure of aqueous choline chloride-based deep eutectic solvents (ethaline, glyceline, maline and reline) at 30 to 70 deg C
• Densities of aqueous mixtures of (choline chloride + ethylene glycol) and (choline chloride + malonic acid) deep eutectic solvents in temperature range 283.15-363.15 K
• Molar Heat Capacity of Selected Type III Deep Eutectic Solvents
• Experimental Study on Reactive Extraction of Malonic Acid with Validation by Fourier Transform Infrared Spectroscopy
• Fixed-Path Length Laser-Induced Sound Pinging: A Streamlined Method for Sound Speed Determination in Arbitrary Liquids
• Surface Tensions and Densities of Oxalic, Malonic, Succinic, Maleic, Malic, and cis-Pinonic Acids
• Mutual Diffusion Coefficients for Binary Aqueous Solutions of Arsenous, Arsenic, and Malonic Acids
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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