Chemical Properties of 1,2,3-Propenetricarboxylic acid, tributyl ester (CAS 7568-58-3)

1,2,3-Propenetricarboxylic acid, tributyl ester

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InChI
InChI=1S/C18H30O6/c1-4-7-10-22-16(19)13-15(18(21)24-12-9-6-3)14-17(20)23-11-8-5-2/h13H,4-12,14H2,1-3H3/b15-13-
InChI Key
BANLNYYTSYHBAP-SQFISAMPSA-N
Formula
C18H30O6
SMILES
CCCCOC(=O)C=C(CC(=O)OCCCC)C(=O)OCCCC
Molecular Weight1
342.43
CAS
7568-58-3
Other Names
  • 1,2,3-Propenetricarboxylic acid, tributyl ester
  • 1-Propene-1,2,3-tricarboxylic acid, tris(N.-butyl ester)
  • Tri-n-butyl aconitate
  • Tributyl (1z)-1-propene-1,2,3-tricarboxylate
  • Tributyl aconitate
  • trans aconitic acid, tributyl ester
  • tributyl prop-1-ene-1,2,3-tricarboxylate
Sources

Physical Properties

Property Value Unit Source
Δf -529.41 kJ/mol Joback Calculated Property
Δfgas -1041.82 kJ/mol Joback Calculated Property
Δfus 49.63 kJ/mol Joback Calculated Property
Δvap 83.17 kJ/mol Joback Calculated Property
logPoct/wat 3.33 Crippen Calculated Property
Pc 1321.35 kPa Joback Calculated Property
Tboil 844.15 K Joback Calculated Property
Tc 1038.39 K Joback Calculated Property
Tfus 490.06 K Joback Calculated Property
Vc 1.10 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 875.43 J/mol×K 844.15 Joback Calculated Property
ΔvapH 87.40 kJ/mol 434.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
=C< 1
>C=O (nonring) 3
-CH2- 10
=CH- 1
-CH3 3

Similar Compounds

1,2,3-Propenetricarboxylic acid, triethyl ester. Triethyl (1z)-1-propene-1,2,3-tricarboxylate. 1,2,3-Propenetricarboxylic acid, tri(2-methylpropyl) ester. 1,2,3-Propenetricarboxylic acid, tris(1-methylpropyl) ester. 1-Propene-1,2,3-tricarboxylic acid, trimethyl ester. Trimethyl (1z)-1-propene-1,2,3-tricarboxylate. Methylaconitic acid, trimethyl ester. Dimethyl isopropylidene succinate. Dibutyl itaconate. Succinic acid, 2-hydroxymethylene-3-isopropylidene-, diethyl ester. (E)-1-Propene-1,2,3-tricarboxylic acid. Diethylitaconate. Succinic acid, 2-hydroxymethylene-3-isopropylidene-, dimethyl ester. Bis(2-ethylhexyl) methylenesuccinate. 3-Ethyl-4-methyl-2,5-furandione.

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