Chemical Properties of Methylaconitic acid, trimethyl ester

Methylaconitic acid, trimethyl ester

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InChI
InChI=1S/C10H14O6/c1-6(9(12)15-3)7(10(13)16-4)5-8(11)14-2/h5H2,1-4H3/b7-6+
InChI Key
ACFSFUFJFGNCSK-VOTSOKGWSA-N
Formula
C10H14O6
SMILES
COC(=O)CC(C(=O)OC)=C(C)C(=O)OC
Molecular Weight1
230.21
Sources

Physical Properties

Property Value Unit Source
Δf -605.32 kJ/mol Joback Calculated Property
Δfgas -886.49 kJ/mol Joback Calculated Property
Δfus 27.60 kJ/mol Joback Calculated Property
Δvap 65.44 kJ/mol Joback Calculated Property
logPoct/wat 0.21 Crippen Calculated Property
Pc 2555.92 kPa Joback Calculated Property
Tboil 660.99 K Joback Calculated Property
Tc 859.91 K Joback Calculated Property
Tfus 385.94 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 436.21 J/mol×K 660.99 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
-CH2- 1
>C=O (nonring) 3
=C< 2
-CH3 4

Similar Compounds

1-Propene-1,2,3-tricarboxylic acid, trimethyl ester. Trimethyl (1z)-1-propene-1,2,3-tricarboxylate. 1,2,3-Propenetricarboxylic acid, triethyl ester. Triethyl (1z)-1-propene-1,2,3-tricarboxylate. Dimethyl isopropylidene succinate. 1,2,3-Propenetricarboxylic acid, tributyl ester. 1,2,3-Propenetricarboxylic acid, tri(2-methylpropyl) ester. 1,2,3-Propenetricarboxylic acid, tris(1-methylpropyl) ester. (E)-1-Propene-1,2,3-tricarboxylic acid. Succinic acid, 2-hydroxymethylene-3-isopropylidene-, dimethyl ester. Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate. Dimethyl (Z)-2-n-hexyl-3-methylbutendioate. 2-Isopropylidenebutanedioic acid. Succinic acid, 2-hydroxymethylene-3-isopropylidene-, diethyl ester. 4H-Oxocin-5,6-dicarboxylic acid, dimethyl ester, (Z,Z,E)-.

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