Chemical Properties of 2-Pentenedioic acid, 2-methyl-, dimethyl ester (CAS 72718-96-8)

2-Pentenedioic acid, 2-methyl-, dimethyl ester

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InChI
InChI=1S/C8H12O4/c1-6(8(10)12-3)4-5-7(9)11-2/h4H,5H2,1-3H3/b6-4+
InChI Key
NMQOICPWQBMMFF-GQCTYLIASA-N
Formula
C8H12O4
SMILES
COC(=O)CC=C(C)C(=O)OC
Molecular Weight1
172.18
CAS
72718-96-8
Other Names
  • 2-Methyl-pent-2-enedioic acid dimethyl ester
  • Dimethyl 2-methyl-2-pentenedioate
Sources

Physical Properties

Property Value Unit Source
Δf -379.69 kJ/mol Joback Calculated Property
Δfgas -590.62 kJ/mol Joback Calculated Property
Δfus 20.94 kJ/mol Joback Calculated Property
Δvap 51.75 kJ/mol Joback Calculated Property
logPoct/wat 0.67 Crippen Calculated Property
Pc 2963.34 kPa Joback Calculated Property
Tboil 539.06 K Joback Calculated Property
Tc 734.03 K Joback Calculated Property
Tfus 305.20 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 303.31 J/mol×K 539.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< 1
>C=O (nonring) 2
-CH2- 1
=CH- 1
-CH3 3

Similar Compounds

2-Methoxycarbonyl-pent-2-enedioic acid dimethyl ester. 2-Pentenedioic acid, dimethyl ester. ethyl 2-methyl-2(E)-pentenoate. ethyl 2-methyl-2(Z)-pentenoate. 3-Methyl-pent-2-enedioic acid dimethyl ester, Z. dimethyl 3-methylpent-2-enedioate. 3-Methylglutakonic acid dimethyl ester. Methyl tiglate. 2-Butenoic acid, 2-methyl-, methyl ester, (Z)-. 2-Butenoic acid, 2-methyl-, methyl ester. Diethyl glutaconate. 3-Pentenoic acid, 4-methyl-, methyl ester. 2-Pentenoic acid, 2-methyl-, (E)-. 2-Pentenoic acid, 2-methyl-. Dimethyl isopropylidene succinate.

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