Chemical Properties of Hexanedioic acid (CAS 124-04-9)

InChI

InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)

InChI Key

WNLRTRBMVRJNCN-UHFFFAOYSA-N

Formula

C6H10O4

SMILES

O=C(O)CCCCC(=O)O

Molecular Weight¹

146.14

CAS

124-04-9

Other Names

• 1,4-Butanedicarboxylic acid
• 1,6-Hexanedioic acid
• Acifloctin
• Acinetten
• Adi-pure
• Adilactetten
• Adipic acid
• Adipinic acid
• Hexanedioc acid
• Kyselina adipova
• NSC 7622
• asapic
• inipol DS

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas 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).
• 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).
• NFPA Fire : NFPA Fire Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8501		Relay (1.0) Calculated Property
ΔcH°solid	[-2802.40; -2768.70]	kJ/mol
ΔcH°solid	-2768.70 ± 5.90	kJ/mol	NIST
ΔcH°solid	-2791.98 ± 0.42	kJ/mol	NIST
ΔcH°solid	-2795.90 ± 0.75	kJ/mol	NIST
ΔcH°solid	-2802.40 ± 1.40	kJ/mol	NIST
ΔfG°	-531.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-847.52	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-1021.32; -998.22]	kJ/mol
ΔfH°solid	-1021.32	kJ/mol	NIST
ΔfH°solid	-998.22 ± 0.42	kJ/mol	NIST
ΔfusH°	[33.70; 38.00]	kJ/mol
ΔfusH°	33.70	kJ/mol	Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
ΔfusH°	38.00	kJ/mol	Thermal analysis of phase change materials in the temperature range 120.150 .C
ΔsubH°	[129.00; 133.60]	kJ/mol
ΔsubH°	133.60 ± 1.30	kJ/mol	NIST
ΔsubH°	129.00 ± 1.00	kJ/mol	NIST
ΔvapH°	105.20	kJ/mol	NIST
IE	10.18	eV	Relay (1.0) Calculated Property
log10WS	-0.82		Aq. Solubility Prediction
logPoct/wat	0.716		Crippen Calculated Property
McVol	110.280	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
Pc	3850.00	kPa	Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14)
Inp	[1372.40; 1372.40]
Inp	1372.40		NIST
Inp	1372.40		NIST
I	2137.00		NIST
Tboil	530.95	K	Relay (1.0) Calculated Property
Tc	744.98	K	Relay (1.0) Calculated Property
Tfus	[422.00; 430.00]	K
Tfus	425.95	K	Aq. Solubility Prediction
Tfus	425.50	K	Solubilities of Adipic Acid in Cyclohexanol + Cyclohexanone Mixtures and Cyclohexanone + Cyclohexane Mixtures
Tfus	424.26	K	Determination and Thermodynamic Modeling of Solid-Liquid Phase Equilibrium for Succinic Acid in the Glutaric Acid + Adipic Acid + Ethyl Acetate Mixture and Adipic Acid in the Succinic Acid + Glutaric Acid + Ethyl Acetate Mixture
Tfus	425.15	K	Solubilities of Adipic Acid and Succinic Acid in Glutaric Acid + Acetone or n-butanol Mixture
Tfus	426.07 ± 0.20	K	NIST
Tfus	425.50 ± 0.30	K	NIST
Tfus	425.50 ± 0.30	K	NIST
Tfus	425.50 ± 0.30	K	NIST
Tfus	425.50 ± 0.40	K	NIST
Tfus	425.50 ± 0.30	K	NIST
Tfus	426.00 ± 1.50	K	NIST
Tfus	425.50 ± 0.50	K	NIST
Tfus	422.00 ± 8.00	K	NIST
Tfus	422.40 ± 1.00	K	NIST
Tfus	Outlier 430.00 ± 2.00	K	NIST
Tfus	424.00 ± 1.50	K	NIST
Ttriple	424.70 ± 0.30	K	NIST
Vc	0.405	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[277.53; 314.81]	J/mol×K	[628.78; 802.60]
Cp,gas	277.53	J/mol×K	628.78	Joback Calculated Property
Cp,gas	284.57	J/mol×K	657.75	Joback Calculated Property
Cp,gas	291.27	J/mol×K	686.72	Joback Calculated Property
Cp,gas	297.63	J/mol×K	715.69	Joback Calculated Property
Cp,gas	303.67	J/mol×K	744.66	Joback Calculated Property
Cp,gas	309.39	J/mol×K	773.63	Joback Calculated Property
Cp,gas	314.81	J/mol×K	802.60	Joback Calculated Property
η	[0.0000378; 0.0058569]	Pa×s	[378.88; 628.78]
η	0.0058569	Pa×s	378.88	Joback Calculated Property
η	0.0016670	Pa×s	420.53	Joback Calculated Property
η	0.0005951	Pa×s	462.18	Joback Calculated Property
η	0.0002519	Pa×s	503.83	Joback Calculated Property
η	0.0001216	Pa×s	545.48	Joback Calculated Property
η	0.0000651	Pa×s	587.13	Joback Calculated Property
η	0.0000378	Pa×s	628.78	Joback Calculated Property
ΔfusH	[33.70; 34.85]	kJ/mol	[419.00; 426.40]
ΔfusH	33.70	kJ/mol	419.00	NIST
ΔfusH	34.85	kJ/mol	425.50	NIST
ΔfusH	34.85	kJ/mol	426.40	NIST
ΔfusH	34.85	kJ/mol	426.40	NIST
ΔsubH	[125.00; 146.20]	kJ/mol	[296.00; 382.50]
ΔsubH	146.20	kJ/mol	296.00	NIST
ΔsubH	140.00	kJ/mol	306.50	NIST
ΔsubH	145.00 ± 4.00	kJ/mol	348.00	NIST
ΔsubH	125.00 ± 20.00	kJ/mol	363.00	NIST
ΔsubH	129.30 ± 2.50	kJ/mol	382.50	NIST
ΔvapH	92.00	kJ/mol	521.50	NIST
ΔfusS	81.92	J/mol×K	425.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[479.40; 639.57]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.76921e+01
Coefficient B			-6.86994e+03
Coefficient C			-8.46730e+01
Temperature range, min.			479.40
Temperature range, max.			639.57
Pvap	1.33	kPa	479.40	Calculated Property
Pvap	2.83	kPa	497.20	Calculated Property
Pvap	5.63	kPa	514.99	Calculated Property
Pvap	10.61	kPa	532.79	Calculated Property
Pvap	19.05	kPa	550.59	Calculated Property
Pvap	32.77	kPa	568.38	Calculated Property
Pvap	54.24	kPa	586.18	Calculated Property
Pvap	86.74	kPa	603.98	Calculated Property
Pvap	134.46	kPa	621.77	Calculated Property
Pvap	202.66	kPa	639.57	Calculated Property
Pvap	[0.08; 102.59]	kPa	[425.50; 611.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.33029e+02
Coefficient B			-1.71566e+04
Coefficient C			-1.58264e+01
Coefficient D			3.22958e-06
Temperature range, min.			425.50
Temperature range, max.			611.15
Pvap	0.08	kPa	425.50	Calculated Property
Pvap	0.26	kPa	446.13	Calculated Property
Pvap	0.75	kPa	466.76	Calculated Property
Pvap	1.90	kPa	487.38	Calculated Property
Pvap	4.41	kPa	508.01	Calculated Property
Pvap	9.40	kPa	528.64	Calculated Property
Pvap	18.65	kPa	549.27	Calculated Property
Pvap	34.72	kPa	569.89	Calculated Property
Pvap	61.16	kPa	590.52	Calculated Property
Pvap	102.59	kPa	611.15	Calculated Property

Similar Compounds

Find more compounds similar to Hexanedioic acid.

Mixtures

• Hexanedioic acid + Water
• Hexanedioic acid + Ethanol
• Cyclohexanol + Hexanedioic acid + Cyclohexanone
• Hexanedioic acid + Cyclohexanone + Cyclohexane
• Cyclohexanol + Hexanedioic acid
• Hexanedioic acid + Cyclohexanone
• Hexanedioic acid + Ethyl Acetate + Pentanedioic acid
• Hexanedioic acid + Ethyl Acetate
• Hexanedioic acid + Acetic acid
• Hexanedioic acid + Acetone + Pentanedioic acid
• Hexanedioic acid + 1-Butanol + Pentanedioic acid
• Hexanedioic acid + Acetone
• Hexanedioic acid + 1-Butanol
• Hexanedioic acid + Acetic acid + Water
• Hexanedioic acid + Ethanol + Pentanedioic acid
• Hexanedioic acid + Ethanol, 2,2'-oxybis-
• Hexanedioic acid + Urea + Ethanol, 2,2'-oxybis-
• Cyclohexanol + Hexanedioic acid + Cyclohexane
• Hexanedioic acid + Propanoic acid + Water
• Hexanedioic acid + Propanoic acid

Find more mixtures with Hexanedioic acid.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Measurement on the solubility of adipic acid in various solvents at high temperature and its thermodynamics parameters.
• Determination and correlation of solid-liquid phase equilibrium and phase diagram for multicomponent system of mixed dibasic acids. (I) Ternary system of adipic acid + glutaric acid + ethanol system
• Determination and modeling of binary and ternary solid-liquid phase equilibrium for the systems formed by adipic acid, urea and diethylene glycol
• Solubilities of adipic acid in binary cyclohexanone + cyclohexanol, cyclohexane + cyclohexanol, and cyclohexane + cyclohexanone solvent mixtures
• Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
• An odd-even effect on solubility of dicarboxylic acids in organic solvents
• Solubility and thermodynamics of vitamin C in binary liquid mixtures involving water, methanol, ethanol and isopropanol at different temperatures
• Solubility of succinic acid, glutaric acid and adipic acid in propionic acid + epsilon-caprolactone + water mixtures: Experimental measurement and thermodynamic modeling
• Thermal analysis of phase change materials in the temperature range 120.150 .C
• Solubilities of Adipic Acid in Cyclohexanol + Cyclohexanone Mixtures and Cyclohexanone + Cyclohexane Mixtures
• Determination and Correlation of Solid Liquid Phase Equilibrium and Phase Diagram for a Multicomponent System of Mixed Dibasic Acids. Ternary System of Succinic Acid + Adipic Acid + Ethanol
• Determination and Correlation of Solubilities for Succinic Acid in the Adipic Acid + Glutaric Acid + Acetone Mixture and Adipic Acid in the Succinic Acid + Glutaric Acid + Acetone Mixture
• Measurement and Correlation for Solubilities of Adipic Acid in Acetic Acid + e-Caprolactone Mixtures and Cyclohexanone + e-Caprolactone Mixtures
• Measurement and Correlation for Solubilities of Adipic Acid, Glutaric Acid and Succinic Acid in Acetic Acid + Cyclohexanone Mixtures
• Measurement and Correlation for Solubilities of Adipic Acid, Glutaric Acid, and Succinic Acid in Dimethyl Adipate + Methanol Mixtures
• Measurement and Correlation for the Solubility of Adipic Acid and Succinic Acid in Glutaric Acid + Cyclohexanone and Glutaric Acid + Acetic Acid Mixtures
• Determination and Thermodynamic Modeling of Solid-Liquid Phase Equilibrium for Succinic Acid in the Glutaric Acid + Adipic Acid + Ethyl Acetate Mixture and Adipic Acid in the Succinic Acid + Glutaric Acid + Ethyl Acetate Mixture
• Phase Equilibrium Involving Xylose, Water, and Ethylene Glycol or 1,2-Propylene Glycol at Different Temperatures
• Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14)
• Viscosity B Coefficients and Activation Parameters of Viscous Flow for Hexanedioic Acid in Aqueous Dextran Solution
• Solubilities of Adipic Acid in Acetic Acid + Water Mixtures and Acetic Acid + Cyclohexane Mixtures
• Solid Liquid Equilibrium and Phase Diagram for the Ternary Succinic Acid + Glutaric Acid + Water System
• Solubilities of Adipic Acid and Succinic Acid in Glutaric Acid + Acetone or n-butanol Mixture
• Ternary Phase Diagram for Systems of Succinic Acid + Urea + Water, Glutaric Acid + Urea + Water and Adipic Acid + Urea + Water at 288.15 K and 303.15 K
• Solubility of Adipic Acid in Acetone, Chloroform, and Toluene
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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