Chemical Properties of 2-Pentenedioic acid, 2-methoxy-, dimethyl ester (CAS 56009-33-7)

InChI

InChI=1S/C8H12O5/c1-11-6(8(10)13-3)4-5-7(9)12-2/h4H,5H2,1-3H3/b6-4-

InChI Key

VKPFVKSMNVODAO-XQRVVYSFSA-N

Formula

C8H12O5

SMILES

COC(=O)CC=C(OC)C(=O)OC

Molecular Weight¹

188.18

CAS

56009-33-7

Other Names

• 2-Methoxy-pent-2-enedioic acid dimethyl ester
• 2-Pentenedioic acid, 2-methoxy-, 1,5-dimethyl ester
• Dimethyl 2-methoxy-2-pentenedioate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-836.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.29	kJ/mol	Joback Calculated Property
ΔvapH°	67.33	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	0.253		Crippen Calculated Property
McVol	140.030	ml/mol	McGowan Calculated Property
Pc	2668.02	kPa	Joback Calculated Property
Inp	[1291.00; 1291.00]
Inp	1291.00		NIST
Inp	1291.00		NIST
Tboil	516.41	K	Relay (1.0) Calculated Property
Tfus	279.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[319.46; 380.60]	J/mol×K	[525.54; 713.74]
Cp,gas	319.46	J/mol×K	525.54	Joback Calculated Property
Cp,gas	330.93	J/mol×K	556.91	Joback Calculated Property
Cp,gas	341.91	J/mol×K	588.27	Joback Calculated Property
Cp,gas	352.36	J/mol×K	619.64	Joback Calculated Property
Cp,gas	362.30	J/mol×K	651.01	Joback Calculated Property
Cp,gas	371.72	J/mol×K	682.37	Joback Calculated Property
Cp,gas	380.60	J/mol×K	713.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentenedioic acid, 2-methoxy-, dimethyl ester.

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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