Chemical Properties of Pentanedioic acid (CAS 110-94-1)

InChI

InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)

InChI Key

JFCQEDHGNNZCLN-UHFFFAOYSA-N

Formula

C5H8O4

SMILES

O=C(O)CCCC(=O)O

Molecular Weight¹

132.11

CAS

110-94-1

Other Names

• 1,3-propanedicarboxylic acid
• 1,5-pentanedioic acid
• Pentandioic acid
• glutaric acid

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

Physical Properties

Property	Value	Unit	Source
ω	0.8125		Relay (1.0) Calculated Property
ΔcH°solid	[-2151.60; -2150.35]	kJ/mol
ΔcH°solid	-2150.35 ± 0.75	kJ/mol	NIST
ΔcH°solid	-2150.90 ± 1.20	kJ/mol	NIST
ΔcH°solid	-2151.60 ± 0.50	kJ/mol	NIST
ΔfG°	-696.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-825.57	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-960.50; -960.00]	kJ/mol
ΔfH°solid	-960.50 ± 1.10	kJ/mol	NIST
ΔfH°solid	-960.00 ± 1.20	kJ/mol	NIST
ΔfusH°	[2.30; 21.53]	kJ/mol
ΔfusH°	2.30	kJ/mol	Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
ΔfusH°	21.01	kJ/mol	Measurement of enthalpy curves of phase change materials via DSC and T-History: When are both methods needed to estimate the behaviour of the bulk material in applications?
ΔfusH°	21.53	kJ/mol	Solid Liquid Equilibria for Six Binary Mixtures of Pentanedioic Acid, Octanedioic Acid, 3-Methylheptanedioic Acid, 2,2-Dimethylbutanedioic Acid, and 2,3-Dimethylbutanedioic Acid
ΔsubH°	119.80 ± 1.20	kJ/mol	NIST
ΔvapH°	101.60	kJ/mol	NIST
IE	10.18	eV	Relay (1.0) Calculated Property
log10WS	1.00		Aq. Solubility Prediction
logPoct/wat	0.326		Crippen Calculated Property
McVol	96.190	ml/mol	McGowan Calculated Property
Pc	4270.00	kPa	Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14)
Tboil	523.93	K	Relay (1.0) Calculated Property
Tc	744.47	K	Relay (1.0) Calculated Property
Tfus	[369.80; 372.25]	K
Tfus	371.60	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	Outlier 372.25	K	Solubilities of Adipic Acid and Succinic Acid in Glutaric Acid + Acetone or n-butanol Mixture
Tfus	370.25	K	Aq. Solubility Prediction
Tfus	371.00 ± 0.30	K	NIST
Tfus	371.00 ± 0.30	K	NIST
Tfus	371.00 ± 0.03	K	NIST
Tfus	371.00 ± 0.40	K	NIST
Tfus	371.00 ± 0.30	K	NIST
Tfus	370.70 ± 1.00	K	NIST
Tfus	371.00 ± 0.50	K	NIST
Tfus	370.05 ± 0.50	K	NIST
Tfus	369.80 ± 0.60	K	NIST
Vc	0.366	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[18.80; 23.00]	kJ/mol	[363.90; 372.30]
ΔfusH	18.80	kJ/mol	363.90	NIST
ΔfusH	20.70	kJ/mol	370.90	NIST
ΔfusH	23.00	kJ/mol	371.00	NIST
ΔfusH	20.90	kJ/mol	371.00	NIST
ΔfusH	21.30	kJ/mol	372.30	NIST
ΔsubH	[117.00; 134.00]	kJ/mol	[284.50; 355.50]
ΔsubH	132.30	kJ/mol	284.50	NIST
ΔsubH	134.00 ± 4.00	kJ/mol	331.00	NIST
ΔsubH	117.00 ± 1.20	kJ/mol	355.50	NIST
ΔvapH	98.10	kJ/mol	502.00	NIST
Pvap	[0.17; 0.55]	kPa	[433.15; 453.15]
Pvap	0.17	kPa	433.15	Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water
Pvap	0.32	kPa	443.15	Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water
Pvap	0.55	kPa	453.15	Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.79; 298.84]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.54300e+00
Coefficient B			5.80400e-01
Coefficient C			-3.93400e-04
Coefficient D			1.04300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.79	J/mol×K	273.00	Calculated Property
Cp,gas	168.26	J/mol×K	353.78	Calculated Property
Cp,gas	194.03	J/mol×K	434.56	Calculated Property
Cp,gas	216.44	J/mol×K	515.33	Calculated Property
Cp,gas	235.83	J/mol×K	596.11	Calculated Property
Cp,gas	252.51	J/mol×K	676.89	Calculated Property
Cp,gas	266.82	J/mol×K	757.67	Calculated Property
Cp,gas	279.10	J/mol×K	838.44	Calculated Property
Cp,gas	289.66	J/mol×K	919.22	Calculated Property
Cp,gas	298.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029785; 0.0003386]	Pa×s	[370.76; 568.33]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.20713e+01
Coefficient B			2.31912e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			370.76
Temperature range, max.			568.33
η	0.0029785	Pa×s	370.76	Calculated Property
η	0.0020997	Pa×s	392.71	Calculated Property
η	0.0015360	Pa×s	414.67	Calculated Property
η	0.0011595	Pa×s	436.62	Calculated Property
η	0.0008992	Pa×s	458.57	Calculated Property
η	0.0007137	Pa×s	480.52	Calculated Property
η	0.0005780	Pa×s	502.47	Calculated Property
η	0.0004765	Pa×s	524.42	Calculated Property
η	0.0003989	Pa×s	546.37	Calculated Property
η	0.0003386	Pa×s	568.33	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[469.85; 599.42]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.86943e+01
Coefficient B			-6.35351e+03
Coefficient C			-1.24671e+02
Temperature range, min.			469.85
Temperature range, max.			599.42
Pvap	1.33	kPa	469.85	Calculated Property
Pvap	2.79	kPa	484.25	Calculated Property
Pvap	5.50	kPa	498.64	Calculated Property
Pvap	10.33	kPa	513.04	Calculated Property
Pvap	18.53	kPa	527.44	Calculated Property
Pvap	31.94	kPa	541.83	Calculated Property
Pvap	53.10	kPa	556.23	Calculated Property
Pvap	85.40	kPa	570.63	Calculated Property
Pvap	133.34	kPa	585.02	Calculated Property
Pvap	202.64	kPa	599.42	Calculated Property
Pvap	[1.74e-03; 3770.18]	kPa	[370.65; 807.00]	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			1.83091e+02
Coefficient B			-2.04558e+04
Coefficient C			-2.28089e+01
Coefficient D			4.85058e-06
Coefficient E			0.00000e+00
Temperature range, min.			370.65
Temperature range, max.			807.00
Pvap	1.74e-03	kPa	370.65	Calculated Property
Pvap	0.08	kPa	419.13	Calculated Property
Pvap	1.20	kPa	467.62	Calculated Property
Pvap	9.74	kPa	516.10	Calculated Property
Pvap	48.74	kPa	564.58	Calculated Property
Pvap	172.37	kPa	613.07	Calculated Property
Pvap	472.82	kPa	661.55	Calculated Property
Pvap	1074.35	kPa	710.03	Calculated Property
Pvap	2121.16	kPa	758.52	Calculated Property
Pvap	3770.18	kPa	807.00	Calculated Property
Pvap	[0.13; 101.36]	kPa	[428.70; 576.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.22884e+01
Coefficient B			-9.53439e+03
Coefficient C			-3.64100e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			428.70
Temperature range, max.			576.00
Pvap	0.13	kPa	428.70	Calculated Property
Pvap	0.35	kPa	445.07	Calculated Property
Pvap	0.87	kPa	461.43	Calculated Property
Pvap	1.99	kPa	477.80	Calculated Property
Pvap	4.31	kPa	494.17	Calculated Property
Pvap	8.84	kPa	510.53	Calculated Property
Pvap	17.29	kPa	526.90	Calculated Property
Pvap	32.38	kPa	543.27	Calculated Property
Pvap	58.32	kPa	559.63	Calculated Property
Pvap	101.36	kPa	576.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentanedioic acid.

Mixtures

• Ethanol + Pentanedioic acid
• Acetic acid + Pentanedioic acid
• Acetone + Pentanedioic acid
• Ethyl Acetate + Pentanedioic acid
• Water + Pentanedioic acid
• Hexanedioic acid + Ethanol + Pentanedioic acid
• Propanoic acid + Water + Pentanedioic acid
• Propanoic acid + Pentanedioic acid
• Butanedioic acid + Ethanol + Pentanedioic acid
• Butanedioic acid + Ethyl Acetate + Pentanedioic acid
• Hexanedioic acid + Ethyl Acetate + Pentanedioic acid
• Acetic acid + Cyclohexanone + Pentanedioic acid
• Cyclohexanone + Pentanedioic acid
• Urea + Water + Pentanedioic acid
• Pentanedioic acid, dimethyl ester + Pentanedioic acid
• Hexanedioic acid + Cyclohexanone + Pentanedioic acid
• Hexanedioic acid + Acetic acid + Pentanedioic acid
• Butanedioic acid + Cyclohexanone + Pentanedioic acid
• Butanedioic acid + Acetic acid + Pentanedioic acid
• Butanedioic acid + Acetone + Pentanedioic acid

Find more mixtures with Pentanedioic acid.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• 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
• Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
• Volumetric properties of aqueous solutions of glutaric acid
• An odd-even effect on solubility of dicarboxylic acids in organic solvents
• Determination and correlation of solid-liquid phase equilibrium and phase diagram for multicomponent system of mixed dibasic acids. (III) Ternary system of succinic acid + glutaric acid + ethanol system
• Solubility of succinic acid, glutaric acid and adipic acid in propionic acid + epsilon-caprolactone + water mixtures: Experimental measurement and thermodynamic modeling
• Measurement of enthalpy curves of phase change materials via DSC and T-History: When are both methods needed to estimate the behaviour of the bulk material in applications?
• Determination and Correlation for the Solubility of Glutaric Acid in Cyclohexane + Cyclohexanol + Cyclohexanone Solvent 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
• Measurement and Correlation for Solubilities of Succinic Acid and Glutaric Acid in e-Caprolactone + Acetic Acid Mixtures and e-Caprolactone + Cyclohexanone Mixtures
• 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
• 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
• Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14)
• Solid Liquid Equilibria for Six Binary Mixtures of Pentanedioic Acid, Octanedioic Acid, 3-Methylheptanedioic Acid, 2,2-Dimethylbutanedioic Acid, and 2,3-Dimethylbutanedioic Acid
• 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
• Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.