Chemical Properties of 1,2,3-Propenetricarboxylic acid, tris(1-methylpropyl) ester (CAS 111530-50-8)

1,2,3-Propenetricarboxylic acid, tris(1-methylpropyl) ester

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InChI
InChI=1S/C18H30O6/c1-7-12(4)22-16(19)10-15(18(21)24-14(6)9-3)11-17(20)23-13(5)8-2/h10,12-14H,7-9,11H2,1-6H3/b15-10-
InChI Key
RNKDXUCWFNMDKW-GDNBJRDFSA-N
Formula
C18H30O6
SMILES
CCC(C)OC(=O)C=C(CC(=O)OC(C)CC)C(=O)OC(C)CC
Molecular Weight1
342.43
CAS
111530-50-8
Other Names
  • Tri(sec-butyl) (1z)-1-propene-1,2,3-tricarboxylate
Sources

Physical Properties

Property Value Unit Source
Δf -536.73 kJ/mol Joback Calculated Property
Δfgas -1057.66 kJ/mol Joback Calculated Property
Δfus 39.06 kJ/mol Joback Calculated Property
Δvap 82.00 kJ/mol Joback Calculated Property
logPoct/wat 3.33 Crippen Calculated Property
Pc 1344.71 kPa Joback Calculated Property
Tboil 842.83 K Joback Calculated Property
Tc 1040.87 K Joback Calculated Property
Tfus 445.06 K Joback Calculated Property
Vc 1.08 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 876.99 J/mol×K 842.83 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 3
=C< 1
>C=O (nonring) 3
-CH2- 4
=CH- 1
-CH3 6

Similar Compounds

1,2,3-Propenetricarboxylic acid, tributyl ester. Triethyl (1z)-1-propene-1,2,3-tricarboxylate. 1,2,3-Propenetricarboxylic acid, triethyl ester. 1,2,3-Propenetricarboxylic acid, tri(2-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. Succinic acid, 2-hydroxymethylene-3-isopropylidene-, diethyl ester. Dibutyl itaconate. (E)-1-Propene-1,2,3-tricarboxylic acid. Diethylitaconate. Succinic acid, 2-hydroxymethylene-3-isopropylidene-, dimethyl ester. Dimethyl (Z)-2-n-hexyl-3-methylbutendioate. Bis(2-ethylhexyl) methylenesuccinate.

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