Cas no 630102-29-3 (1,3-Benzenedicarboxylic acid, 5-[(1-decylundecyl)oxy]-)

1,3-Benzenedicarboxylic acid, 5-[(1-decylundecyl)oxy]- structure
630102-29-3 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-[(1-decylundecyl)oxy]-
CAS No:630102-29-3
MF:C29H48O5
MW:476.688429832459
CID:1644148
Update Time:2024-09-12

1,3-Benzenedicarboxylic acid, 5-[(1-decylundecyl)oxy]- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenedicarboxylic acid, 5-[(1-decylundecyl)oxy]-
    • Inchi： 1S/C29H48O5/c1-3-5-7-9-11-13-15-17-19-26(20-18-16-14-12-10-8-6-4-2)34-27-22-24(28(30)31)21-25(23-27)29(32)33/h21-23,26H,3-20H2,1-2H3,(H,30,31)(H,32,33)
    • InChI Key： PISYAZLRONUHCK-UHFFFAOYSA-N
    • SMILES： C1(C(O)=O)=CC(OC(CCCCCCCCCC)CCCCCCCCCC)=CC(C(O)=O)=C1

Computed Properties

  • Exact Mass: 476.35034

Experimental Properties

  • Density: 1.016±0.06 g/cm3(Predicted)
  • Boiling Point: 613.8±40.0 °C(Predicted)
  • PSA: 83.83
  • pka: 3.37±0.10(Predicted)

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