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

• CARBOXYACETIC ACID
• CH2(COOH)2
• DICARBOXYMETHANE
• Kyselina malonova
• MALONIC ACID
• Methanedicarbonic acid
• Methanedicarboxylic acid
• NSC 8124
• USAF EK-695

• 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_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).
• 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_vap : Vapor pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
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
ΔfG°	-557.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-634.87	kJ/mol	Joback Calculated Property
ΔfH°solid	-891.10 ± 0.40	kJ/mol	NIST
ΔfusH°	14.90	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°	69.12	kJ/mol	Joback Calculated Property
IE	11.05	eV	NIST
log10WS	0.72		Crippen Calculated Property
logPoct/wat	-0.454		Crippen Calculated Property
McVol	68.010	ml/mol	McGowan Calculated Property
Pc	6990.97	kPa	Joback Calculated Property
S°solid,1 bar	149.00	J/mol×K	NIST
Tboil	560.14	K	Joback Calculated Property
Tc	737.52	K	Joback Calculated Property
Tfus	[407.90; 408.05]	K
Tfus	408.05 ± 0.30	K	NIST
Tfus	407.90 ± 0.30	K	NIST
Vc	0.254	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.44; 169.19]	J/mol×K	[560.14; 737.52]
Cp,gas	147.44	J/mol×K	560.14	Joback Calculated Property
Cp,gas	151.57	J/mol×K	589.70	Joback Calculated Property
Cp,gas	155.48	J/mol×K	619.27	Joback Calculated Property
Cp,gas	159.20	J/mol×K	648.83	Joback Calculated Property
Cp,gas	162.72	J/mol×K	678.39	Joback Calculated Property
Cp,gas	166.05	J/mol×K	707.95	Joback Calculated Property
Cp,gas	169.19	J/mol×K	737.52	Joback Calculated Property
Cp,solid	127.63	J/mol×K	298.15	NIST
η	[0.0000754; 0.0115826]	Pa×s	[345.07; 560.14]
η	0.0115826	Pa×s	345.07	Joback Calculated Property
η	0.0033725	Pa×s	380.92	Joback Calculated Property
η	0.0012142	Pa×s	416.76	Joback Calculated Property
η	0.0005139	Pa×s	452.61	Joback Calculated Property
η	0.0002468	Pa×s	488.45	Joback Calculated Property
η	0.0001310	Pa×s	524.30	Joback Calculated Property
η	0.0000754	Pa×s	560.14	Joback Calculated Property
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
Pvap	[1.33; 202.64]	kPa	[423.32; 733.06]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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	[1.34e-04; 2.04e-03]	kPa	[291.15; 320.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.11442e+01
Coefficient B			-8.74805e+03
Coefficient C			-2.54993e-03
Coefficient D			4.32749e-09
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

Similar Compounds

Find more compounds similar to Propanedioic acid.

Mixtures

• Propanedioic acid + Water
• Choline chloride + Propanedioic acid + Water
• Choline chloride + Propanedioic acid
• Propanedioic acid + Ethanol
• Propanedioic acid + 1,4-Dioxane
• Acetonitrile + Propanedioic acid
• Isopropyl Alcohol + Propanedioic acid
• Propanedioic acid + Tetrahydrofuran
• Propanedioic acid + Acetic acid
• Propanedioic acid + Acetone
• Propanedioic acid + Ethyl Acetate
• Propanoic acid, ethyl ester + Choline chloride + Propanedioic acid
• Propanoic acid, propyl ester + Choline chloride + Propanedioic acid
• Tetra-N-butylammonium chloride + Propanedioic acid
• Propanedioic acid + Methyltriphenylphosphonium bromide
• Propanedioic acid + 1-Octanol + Water
• Methyl Isobutyl Ketone + Propanedioic acid + Water
• Propanedioic acid + Heptane + Water

Sources

• KDB Vapor Pressure Data
• 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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