Chemical Properties of (E)-1-Propene-1,2,3-tricarboxylic acid (CAS 4023-65-8)

(E)-1-Propene-1,2,3-tricarboxylic acid

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InChI
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
InChI Key
GTZCVFVGUGFEME-HNQUOIGGSA-N
Formula
C6H6O6
SMILES
O=C(O)C=C(CC(=O)O)C(=O)O
Molecular Weight1
174.11
CAS
4023-65-8
Other Names
  • 1-Propene-1,2,3-tricarboxylic acid, (E)-
  • 1-Propene-1,2,3-tricarboxylic acid, trans
  • 1-Propene-1,trans-2,3-tricarboxylic acid
  • Aconitic acid, trans
  • trans-Aconitate
  • trans-Aconitic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -1985.80 ± 2.50 kJ/mol NIST
Δf -725.91 kJ/mol Joback Calculated Property
Δfgas -854.17 kJ/mol Joback Calculated Property
Δfsolid -1233.00 ± 3.00 kJ/mol NIST
Δfus 27.25 kJ/mol Joback Calculated Property
Δvap 99.26 kJ/mol Joback Calculated Property
logPoct/wat -0.44 Crippen Calculated Property
Pc 6180.53 kPa Joback Calculated Property
Tboil 778.87 K Joback Calculated Property
Tc 966.03 K Joback Calculated Property
Tfus 455.75 ± 0.80 K NIST
Tfus 456.45 ± 0.60 K NIST
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 293.62 J/mol×K 778.87 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Isopropylidenebutanedioic acid. Trimethyl (1z)-1-propene-1,2,3-tricarboxylate. 1-Propene-1,2,3-tricarboxylic acid, trimethyl ester. Methylaconitic acid, trimethyl ester. 1,2,3-Propenetricarboxylic acid, triethyl ester. Triethyl (1z)-1-propene-1,2,3-tricarboxylate. 1,2,3-Propenetricarboxylic acid, tributyl ester. Dimethyl isopropylidene succinate. 1,2,3-Propenetricarboxylic acid, tri(2-methylpropyl) ester. 3-Methyl-delta2-penten-1,5-dioic acid. 1,2,3-Propenetricarboxylic acid, tris(1-methylpropyl) ester. 1-Propene-1,2,3-tricarboxylic acid, tris(trimethylsilyl) ester, (Z)-. Aconitic acid, tri-TMS. 1-Propene-1,2,3-tricarboxylic acid, tris(trimethylsilyl) ester, (E)-. Butanedioic acid, methylene-.

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