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

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

• 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).
• 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).
• 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°	-484.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-722.84	kJ/mol	Joback Calculated Property
ΔfusH°	22.13	kJ/mol	Joback Calculated Property
ΔvapH°	54.16	kJ/mol	Joback Calculated Property
log10WS	-0.33		Crippen Calculated Property
logPoct/wat	0.253		Crippen Calculated Property
McVol	140.030	ml/mol	McGowan Calculated Property
Pc	2909.25	kPa	Joback Calculated Property
Inp	[1291.00; 1291.00]
Inp	1291.00		NIST
Inp	1291.00		NIST
Tboil	561.48	K	Joback Calculated Property
Tc	754.94	K	Joback Calculated Property
Tfus	327.43	K	Joback Calculated Property
Vc	0.530	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.33; 385.60]	J/mol×K	[561.48; 754.94]
Cp,gas	326.33	J/mol×K	561.48	Joback Calculated Property
Cp,gas	337.36	J/mol×K	593.72	Joback Calculated Property
Cp,gas	347.94	J/mol×K	625.97	Joback Calculated Property
Cp,gas	358.07	J/mol×K	658.21	Joback Calculated Property
Cp,gas	367.72	J/mol×K	690.45	Joback Calculated Property
Cp,gas	376.90	J/mol×K	722.69	Joback Calculated Property
Cp,gas	385.60	J/mol×K	754.94	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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