Chemical Properties of 2-Butenedioic acid, 2-methyl-, (Z)- (CAS 498-23-7)

InChI

InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-

InChI Key

HNEGQIOMVPPMNR-IHWYPQMZSA-N

Formula

C5H6O4

SMILES

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

Molecular Weight¹

130.10

CAS

498-23-7

Other Names

• Citraconic acid
• Methylmaleic acid
• cis-Methylbutenedioic acid
• Maleic acid, methyl-
• Kyselina citrakonova
• 2-Methyl-2-butenedioic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.88	kJ/mol	Joback Calculated Property
IE	10.44	eV	Relay (1.0) Calculated Property
logPoct/wat	0.102		Crippen Calculated Property
McVol	91.890	ml/mol	McGowan Calculated Property
Pc	4672.09	kPa	Joback Calculated Property
Inp	1222.00		NIST
Tboil	507.55	K	Relay (1.0) Calculated Property
Tc	735.71	K	Relay (1.0) Calculated Property
Tfus	[356.15; 356.40]	K
Tfus	356.40 ± 0.60	K	NIST
Tfus	356.15 ± 0.70	K	NIST

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.11; 249.18]	J/mol×K	[609.06; 828.38]
Cp,gas	216.11	J/mol×K	609.06	Joback Calculated Property
Cp,gas	222.69	J/mol×K	645.61	Joback Calculated Property
Cp,gas	228.78	J/mol×K	682.17	Joback Calculated Property
Cp,gas	234.43	J/mol×K	718.72	Joback Calculated Property
Cp,gas	239.68	J/mol×K	755.28	Joback Calculated Property
Cp,gas	244.59	J/mol×K	791.83	Joback Calculated Property
Cp,gas	249.18	J/mol×K	828.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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.
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