Chemical Properties of 2-Butenedioic acid (Z)-, diethyl ester (CAS 141-05-9)

InChI

InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-

InChI Key

IEPRKVQEAMIZSS-WAYWQWQTSA-N

Formula

C8H12O4

SMILES

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

Molecular Weight¹

172.18

CAS

141-05-9

Other Names

• DIETHYL ESTER MALEIC ACID
• DIETHYL MALEATE
• Diethyl (2z)-2-butenedioate
• Diethylester kyseliny maleinove
• ETHYL MALEATE
• Maleic acid, diethyl ester

• 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).
• 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.
• NFPA Health : NFPA Health Rating.
• 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

Property	Value	Unit	Source
ΔfG°	-371.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-580.83	kJ/mol	Joback Calculated Property
ΔfusH°	22.25	kJ/mol	Joback Calculated Property
ΔvapH°	51.67	kJ/mol	Joback Calculated Property
log10WS	-0.75		Crippen Calculated Property
logPoct/wat	0.669		Crippen Calculated Property
McVol	134.160	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
NFPA Health	1		KDB
Pc	2947.28	kPa	Joback Calculated Property
Inp	[1077.30; 1130.00]
Inp	1081.00		NIST
Inp	1077.30		NIST
Inp	Outlier 1130.00		NIST
Inp	1081.00		NIST
Inp	1081.00		NIST
Inp	1081.00		NIST
Inp	1077.30		NIST
Tboil	498.20	K	NIST
Tc	730.81	K	Joback Calculated Property
Tfus	319.16	K	Joback Calculated Property
Vc	0.511	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.47; 362.20]	J/mol×K	[539.18; 730.81]
Cp,gas	303.47	J/mol×K	539.18	Joback Calculated Property
Cp,gas	314.43	J/mol×K	571.12	Joback Calculated Property
Cp,gas	324.91	J/mol×K	603.06	Joback Calculated Property
Cp,gas	334.94	J/mol×K	634.99	Joback Calculated Property
Cp,gas	344.49	J/mol×K	666.93	Joback Calculated Property
Cp,gas	353.58	J/mol×K	698.87	Joback Calculated Property
Cp,gas	362.20	J/mol×K	730.81	Joback Calculated Property
η	[0.0001934; 0.0018749]	Pa×s	[319.16; 539.18]
η	0.0018749	Pa×s	319.16	Joback Calculated Property
η	0.0010564	Pa×s	355.83	Joback Calculated Property
η	0.0006626	Pa×s	392.50	Joback Calculated Property
η	0.0004501	Pa×s	429.17	Joback Calculated Property
η	0.0003249	Pa×s	465.84	Joback Calculated Property
η	0.0002460	Pa×s	502.51	Joback Calculated Property
η	0.0001934	Pa×s	539.18	Joback Calculated Property
ΔvapH	55.20	kJ/mol	414.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[372.32; 527.71]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60472e+01
Coefficient B			-5.23300e+03
Coefficient C			-4.02720e+01
Temperature range, min.			372.32
Temperature range, max.			527.71
Pvap	1.33	kPa	372.32	Calculated Property
Pvap	2.90	kPa	389.59	Calculated Property
Pvap	5.88	kPa	406.85	Calculated Property
Pvap	11.18	kPa	424.12	Calculated Property
Pvap	20.10	kPa	441.38	Calculated Property
Pvap	34.44	kPa	458.65	Calculated Property
Pvap	56.54	kPa	475.91	Calculated Property
Pvap	89.38	kPa	493.18	Calculated Property
Pvap	136.62	kPa	510.44	Calculated Property
Pvap	202.64	kPa	527.71	Calculated Property
Pvap	[6.72e-04; 2621.41]	kPa	[264.35; 680.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.30246e+01
Coefficient B			-8.80598e+03
Coefficient C			-6.67305e+00
Coefficient D			2.85276e-06
Temperature range, min.			264.35
Temperature range, max.			680.00
Pvap	6.72e-04	kPa	264.35	Calculated Property
Pvap	0.04	kPa	310.53	Calculated Property
Pvap	0.60	kPa	356.72	Calculated Property
Pvap	4.96	kPa	402.90	Calculated Property
Pvap	25.47	kPa	449.08	Calculated Property
Pvap	93.42	kPa	495.27	Calculated Property
Pvap	269.18	kPa	541.45	Calculated Property
Pvap	649.44	kPa	587.63	Calculated Property
Pvap	1372.11	kPa	633.82	Calculated Property
Pvap	2621.41	kPa	680.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenedioic acid (Z)-, diethyl ester.

Mixtures

• 2-Butenedioic acid (Z)-, diethyl ester + Formic acid + Water
• 2-Butenedioic acid (Z)-, diethyl ester + Acetic acid + Water
• 2-Butenedioic acid (Z)-, diethyl ester + Propanoic acid + Water
• 2-Butenedioic acid (Z)-, diethyl ester + Butanoic acid + Water
• 2-Butenedioic acid (Z)-, diethyl ester + Pentanoic acid + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Phase equilibria of (water + carboxylic acid + diethyl maleate) ternary liquid systems at 298.15 K
• Joback Method
• KDB
• 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.