Chemical Properties of 3-Methylglutakonic acid dimethyl ester

3-Methylglutakonic acid dimethyl ester

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InChI
InChI=1S/C8H12O4/c1-6(4-7(9)11-2)5-8(10)12-3/h4H,5H2,1-3H3/b6-4+
InChI Key
GBQBEQOEGMZCOH-GQCTYLIASA-N
Formula
C8H12O4
SMILES
COC(=O)C=C(C)CC(=O)OC
Molecular Weight1
172.18
Other Names
  • 3-Methyl-pent-2-enedioic acid dimethyl ester, E
  • trans-2-Pentenedioate, 3-methyl, dimethyl ester
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
-CH2- 1
=CH- 1
-CH3 3
>C=O (nonring) 2

Similar Compounds

3-Methyl-pent-2-enedioic acid dimethyl ester, Z. dimethyl 3-methylpent-2-enedioate. methyl 3-methyl-3-pentenoate. 3-Methyl-delta2-penten-1,5-dioic acid. 2-Pentenedioic acid, dimethyl ester. 2-Pentenedioic acid, 2-methyl-, dimethyl ester. 2-Pentenoic acid, 3-methyl-, methyl ester. Diethyl glutaconate. Dehydromevalonic lactone. 3-Methyl-hex-2-enedioic acid dimethyl ester, Z. Dimethyl isopropylidene succinate. 1-Propene-1,2,3-tricarboxylic acid, trimethyl ester. Trimethyl (1z)-1-propene-1,2,3-tricarboxylate. 3-Methyl-hept-2-enedioic acid dimethyl ester, Z. 3-Methyl-dec-2-enedioic acid dimethyl ester, E.

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