Chemical Properties of 1,2,3-Propenetricarboxylic acid, triethyl ester (CAS 5349-99-5)

1,2,3-Propenetricarboxylic acid, triethyl ester

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InChI
InChI=1S/C12H18O6/c1-4-16-10(13)7-9(12(15)18-6-3)8-11(14)17-5-2/h7H,4-6,8H2,1-3H3
InChI Key
IDDWGDKSBYYEPL-UHFFFAOYSA-N
Formula
C12H18O6
SMILES
CCOC(=O)C=C(CC(=O)OCC)C(=O)OCC
Molecular Weight1
258.27
CAS
5349-99-5
Other Names
  • triethyl 1-propene-1,2,3-tricarboxylate
Sources

Physical Properties

Property Value Unit Source
Δf -579.93 kJ/mol Joback Calculated Property
Δfgas -917.98 kJ/mol Joback Calculated Property
Δfus 34.09 kJ/mol Joback Calculated Property
Δvap 69.81 kJ/mol Joback Calculated Property
logPoct/wat 0.99 Crippen Calculated Property
Pc 2113.89 kPa Joback Calculated Property
Tboil 706.87 K Joback Calculated Property
Tc 899.36 K Joback Calculated Property
Tfus 422.44 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 539.23 J/mol×K 706.87 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Triethyl (1z)-1-propene-1,2,3-tricarboxylate. 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. Trimethyl (1z)-1-propene-1,2,3-tricarboxylate. 1-Propene-1,2,3-tricarboxylic acid, trimethyl ester. Methylaconitic acid, trimethyl ester. Dimethyl isopropylidene succinate. Succinic acid, 2-hydroxymethylene-3-isopropylidene-, diethyl ester. (E)-1-Propene-1,2,3-tricarboxylic acid. Diethylitaconate. Dibutyl itaconate. Succinic acid, 2-hydroxymethylene-3-isopropylidene-, dimethyl ester. Dimethyl (Z)-2-n-hexyl-3-methylbutendioate. Bis(2,2,2-trifluoroethyl) itaconate.

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