Chemical Properties of Pentanedioic acid, dimethyl ester (CAS 1119-40-0)

InChI

InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3

InChI Key

XTDYIOOONNVFMA-UHFFFAOYSA-N

Formula

C7H12O4

SMILES

COC(=O)CCCC(=O)OC

Molecular Weight¹

160.17

CAS

1119-40-0

Other Names

• Dimethyl glutarate
• Dimethyl pentanedioate
• Glutaric acid, dimethyl ester
• Methyl glutarate

• 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_fusH° : Enthalpy of fusion at standard conditions (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).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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	0.5806		Relay (1.0) Calculated Property
ΔcH°solid	-3612.00	kJ/mol	NIST
ΔfG°	-459.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-796.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.46	kJ/mol	Joback Calculated Property
ΔvapH°	[65.70; 66.10]	kJ/mol
ΔvapH°	65.70 ± 0.40	kJ/mol	NIST
ΔvapH°	66.10	kJ/mol	NIST
IE	9.92	eV	Relay (1.0) Calculated Property
log10WS	-0.88		Relay (1.0) Calculated Property
logPoct/wat	0.503		Crippen Calculated Property
McVol	124.370	ml/mol	McGowan Calculated Property
Pc	2770.00	kPa	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
Inp	[189.90; 1140.00]
Inp	1135.00		NIST
Inp	1134.00		NIST
Inp	1134.00		NIST
Inp	1102.00		NIST
Inp	1100.00		NIST
Inp	1099.00		NIST
Inp	1104.00		NIST
Inp	1140.00		NIST
Inp	1135.00		NIST
Inp	1105.00		NIST
Inp	1139.80		NIST
Inp	1108.00		NIST
Inp	1107.00		NIST
Inp	1106.00		NIST
Inp	1109.00		NIST
Inp	1103.00		NIST
Inp	1103.00		NIST
Inp	1102.00		NIST
Inp	1139.00		NIST
Inp	1105.00		NIST
Inp	Outlier 189.90		NIST
Inp	1108.00		NIST
I	[1667.00; 1699.00]
I	1667.00		NIST
I	1690.00		NIST
I	1699.00		NIST
I	1687.00		NIST
I	1687.00		NIST
I	1667.00		NIST
Tboil	[487.20; 487.30]	K
Tboil	487.20	K	Liquid-Liquid Equilibria of Water + Acetic Acid + Dimethyl Glutarate Ternary System
Tboil	487.30	K	Liquid-Liquid Equilibria for Ternary Systems of Water + Formic Acid + Dibasic Esters
Tc	648.09	K	Relay (1.0) Calculated Property
Tfus	275.48	K	Relay (1.0) Calculated Property
Vc	0.475	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.30; 335.29]	J/mol×K	[512.14; 697.87]
Cp,gas	278.30	J/mol×K	512.14	Joback Calculated Property
Cp,gas	288.74	J/mol×K	543.09	Joback Calculated Property
Cp,gas	298.81	J/mol×K	574.05	Joback Calculated Property
Cp,gas	308.51	J/mol×K	605.00	Joback Calculated Property
Cp,gas	317.83	J/mol×K	635.96	Joback Calculated Property
Cp,gas	326.76	J/mol×K	666.91	Joback Calculated Property
Cp,gas	335.29	J/mol×K	697.87	Joback Calculated Property
η	[0.0002482; 0.0020676]	Pa×s	[312.97; 512.14]
η	0.0020676	Pa×s	312.97	Joback Calculated Property
η	0.0012258	Pa×s	346.17	Joback Calculated Property
η	0.0007964	Pa×s	379.36	Joback Calculated Property
η	0.0005546	Pa×s	412.56	Joback Calculated Property
η	0.0004076	Pa×s	445.75	Joback Calculated Property
η	0.0003126	Pa×s	478.94	Joback Calculated Property
η	0.0002482	Pa×s	512.14	Joback Calculated Property
ΔvapH	54.70	kJ/mol	424.50	NIST
Pvap	[2.00; 63.01]	kPa	[376.09; 463.15]
Pvap	2.00	kPa	376.09	Isobaric vapor-liquid equilibrium of three binary systems containing dimethyl succinate, dimethyl glutarate and dimethyl adipate at 2, 5.2 and 8.3 kPa
Pvap	8.85	kPa	393.15	Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water
Pvap	5.20	kPa	395.80	Isobaric vapor-liquid equilibrium of three binary systems containing dimethyl succinate, dimethyl glutarate and dimethyl adipate at 2, 5.2 and 8.3 kPa
Pvap	8.30	kPa	407.11	Isobaric vapor-liquid equilibrium of three binary systems containing dimethyl succinate, dimethyl glutarate and dimethyl adipate at 2, 5.2 and 8.3 kPa
Pvap	19.14	kPa	413.15	Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water
Pvap	19.10	kPa	413.15	Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water
Pvap	25.31	kPa	423.15	Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water
Pvap	32.89	kPa	433.15	Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water
Pvap	32.90	kPa	433.15	Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water
Pvap	41.36	kPa	443.15	Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water
Pvap	51.72	kPa	453.15	Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water
Pvap	63.01	kPa	463.15	Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water
n0	[1.42454; 1.42454]		[293.15; 293.15]
n0	1.42454		293.15	Phase equilibria of (water + levulinic acid + dibasic esters) ternary systems
n0	1.42454		293.15	(Liquid + liquid) equilibria of (water + butyric acid + dibasic esters) ternary systems
n0	1.42454		293.15	(Liquid + liquid) equilibria of (water + propionic acid + dibasic esters) ternary systems

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[367.20; 376.50]	K	[1.70; 1.90]
Tboilr	367.20	K	1.70	NIST
Tboilr	376.50 ± 0.50	K	1.90	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[366.71; 514.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.72297e+01
Coefficient B			-5.94230e+03
Coefficient C			-1.59650e+01
Temperature range, min.			366.71
Temperature range, max.			514.55
Pvap	1.33	kPa	366.71	Calculated Property
Pvap	2.85	kPa	383.14	Calculated Property
Pvap	5.69	kPa	399.56	Calculated Property
Pvap	10.75	kPa	415.99	Calculated Property
Pvap	19.31	kPa	432.42	Calculated Property
Pvap	33.19	kPa	448.84	Calculated Property
Pvap	54.83	kPa	465.27	Calculated Property
Pvap	87.42	kPa	481.70	Calculated Property
Pvap	135.01	kPa	498.12	Calculated Property
Pvap	202.64	kPa	514.55	Calculated Property

Similar Compounds

Find more compounds similar to Pentanedioic acid, dimethyl ester.

Mixtures

• Pentanoic acid, 4-oxo- + Pentanedioic acid, dimethyl ester + Water
• Pentanedioic acid, dimethyl ester + Hexanedioic acid, dimethyl ester
• Pentanedioic acid, dimethyl ester + Water
• Butanoic acid + Pentanedioic acid, dimethyl ester + Water
• Pentanedioic acid, dimethyl ester + Propanoic acid + Water
• Pentanedioic acid, dimethyl ester + Butanedioic acid, dimethyl ester
• Pentanedioic acid, dimethyl ester + Acetic acid + Water
• Pentanedioic acid, dimethyl ester + Methyl Alcohol
• Pentanedioic acid, dimethyl ester + Pentanedioic acid
• Formic acid + Pentanedioic acid, dimethyl ester + Water
• Furfural + Pentanedioic acid, dimethyl ester + Water
• Pentanedioic acid, dimethyl ester + Methyl Alcohol + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Liquid liquid equilibria of aqueous mixtures containing selected dibasic esters and/or methanol
• Phase equilibria of (water + levulinic acid + dibasic esters) ternary systems
• (Liquid + liquid) equilibria of the (water + carboxylic acid + dibasic esters mixture (DBE-2)) ternary systems
• (Liquid + liquid) equilibria of (water + butyric acid + dibasic esters) ternary systems
• (Liquid + liquid) equilibria of (water + propionic acid + dibasic esters) ternary systems
• Isobaric vapor-liquid equilibrium of three binary systems containing dimethyl succinate, dimethyl glutarate and dimethyl adipate at 2, 5.2 and 8.3 kPa
• Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
• Liquid-Liquid Equilibria of Water + Acetic Acid + Dimethyl Glutarate Ternary System
• Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
• Vapor-Liquid Equilibrium of Mixtures Containing Adipic Acid, Glutaric Acid, Dimethyl Adipate, Dimethyl Glutarate, Methanol, and Water
• Liquid-Liquid Equilibria for Ternary Systems of Water + Formic Acid + Dibasic Esters
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.