Cas no 4440-03-3 (Propanedioic acid,2-ethyl-2-octyl-)

Propanedioic acid,2-ethyl-2-octyl- structure
4440-03-3 structure
Product Name:Propanedioic acid,2-ethyl-2-octyl-
CAS No:4440-03-3
MF:C13H24O4
MW:244.327264785767
CID:334301
Update Time:2024-01-28

Propanedioic acid,2-ethyl-2-octyl- Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-ethyl-2-octyl-
    • Malonicacid, ethyloctyl- (7CI,8CI); Propanedioic acid, ethyloctyl- (9CI); 3,3-Undecanedicarboxylic acid
    • Propanedioic acid, 2-ethyl-2-octyl-
    • Inchi： 1S/C13H24O4/c1-3-5-6-7-8-9-10-13(4-2,11(14)15)12(16)17/h3-10H2,1-2H3,(H,14,15)(H,16,17)
    • InChI Key： NKJSMYMRSCFHTP-UHFFFAOYSA-N
    • SMILES： C(O)(=O)C(CC)(CCCCCCCC)C(O)=O

Computed Properties

  • Exact Mass: 244.16752

Experimental Properties

  • Density: 1.051±0.06 g/cm3(Predicted)
  • Boiling Point: 396.3±25.0 °C(Predicted)
  • PSA: 74.6
  • pka: 2.19±0.11(Predicted)

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