Chemical Properties of Itaconic acid diethyl ester (CAS 2409-52-1)

InChI

InChI=1S/C9H14O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h3-6H2,1-2H3

InChI Key

ZEFVHSWKYCYFFL-UHFFFAOYSA-N

Formula

C9H14O4

SMILES

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

Molecular Weight¹

186.21

CAS

2409-52-1

Other Names

• Butanedioic acid, methylene-, diethyl ester
• Diethyl itaconate
• Ethyl itaconate
• Succinic acid, methylene-, diethyl ester
• Butanedioic acid, 2-methylene, diethyl ester
• Diethyl 2-methylenesuccinate
• Butanedioic acid, 2-methylene-, 1,4-diethyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• 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

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.42; 471.08]	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			4.28430e+01
Coefficient B			7.29140e-01
Coefficient C			-3.01800e-04
Coefficient D			9.00000e-10
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.42	J/mol×K	273.00	Calculated Property
Cp,gas	263.06	J/mol×K	353.78	Calculated Property
Cp,gas	302.78	J/mol×K	434.56	Calculated Property
Cp,gas	338.57	J/mol×K	515.33	Calculated Property
Cp,gas	370.44	J/mol×K	596.11	Calculated Property
Cp,gas	398.39	J/mol×K	676.89	Calculated Property
Cp,gas	422.43	J/mol×K	757.67	Calculated Property
Cp,gas	442.55	J/mol×K	838.44	Calculated Property
Cp,gas	458.77	J/mol×K	919.22	Calculated Property
Cp,gas	471.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 99.48]	kPa	[324.40; 501.10]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51306e+01
Coefficient B			-4.82451e+03
Coefficient C			-4.29610e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			324.40
Temperature range, max.			501.10
Pvap	0.13	kPa	324.40	Calculated Property
Pvap	0.41	kPa	344.03	Calculated Property
Pvap	1.09	kPa	363.67	Calculated Property
Pvap	2.60	kPa	383.30	Calculated Property
Pvap	5.63	kPa	402.93	Calculated Property
Pvap	11.26	kPa	422.57	Calculated Property
Pvap	21.04	kPa	442.20	Calculated Property
Pvap	37.07	kPa	461.83	Calculated Property
Pvap	62.08	kPa	481.47	Calculated Property
Pvap	99.48	kPa	501.10	Calculated Property

Similar Compounds

Find more compounds similar to Itaconic acid diethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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