Cas no 111381-91-0 (1,2-Benzenedicarboxylicacid, 1-nonyl 2-undecyl ester, branched and linear)

1,2-Benzenedicarboxylicacid, 1-nonyl 2-undecyl ester, branched and linear structure
111381-91-0 structure
Product Name:1,2-Benzenedicarboxylicacid, 1-nonyl 2-undecyl ester, branched and linear
CAS No:111381-91-0
MF:C27H44O4
MW:432.635869026184
CID:171144
PubChem ID:131634974
Update Time:2024-02-27

1,2-Benzenedicarboxylicacid, 1-nonyl 2-undecyl ester, branched and linear Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylicacid, 1-nonyl 2-undecyl ester, branched and linear
    • 1,2-Benzenedicarboxylic acid, nonyl undecyl ester, branched and linear
    • 3-ethyl-4-methylhexyl 2-propyloctyl benzene-1,2-dicarboxylate
    • nonyl undecyl benzene-1,2-dicarboxylate
    • nonyl undecyl phthalate, branched and linear
    • Branched and linear nonyl undecyl phthalate
    • 1,2-Benzenedicarboxylic acid, nonyl undecyl ester
    • 1,2-Benzenedicarboxylic acid, C9,C11-branched and linear dialkyl ester
    • 1,2-Benzenedicarboxylic acid, 1-nonyl 2-undecyl ester, branched and linear
    • Inchi： 1S/C27H44O4/c1-4-5-6-7-11-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-17-12-9-8-10-13-18-23(2)3/h14-15,19-20,23H,4-13,16-18,21-22H2,1-3H3
    • InChI Key： MIQGFONQZAYGHY-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=CC=1C(=O)OCCCCCCCC)=O)CCCCCCCCC(C)C

Computed Properties

  • Exact Mass: 446.33978
  • Monoisotopic Mass: 446.34
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 22
  • Complexity: 462
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 11.2
  • Topological Polar Surface Area: 52.6A^2

Experimental Properties

  • Density: 0.963
  • Boiling Point: 412.1°Cat760mmHg
  • Flash Point: 219.9°C
  • Refractive Index: 1.487
  • PSA: 52.6
  • LogP: 7.84930

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