Cas no 5116-95-0 (1-Tridecanol,1,1'-(hydrogen phosphate))

1-Tridecanol,1,1'-(hydrogen phosphate) structure
5116-95-0 structure
Product Name:1-Tridecanol,1,1'-(hydrogen phosphate)
CAS No:5116-95-0
MF:C26H55O4P
MW:462.68626999855
CID:369836
PubChem ID:62563
Update Time:2025-04-19

1-Tridecanol,1,1'-(hydrogen phosphate) Chemical and Physical Properties

Names and Identifiers

    • 1-Tridecanol,1,1'-(hydrogen phosphate)
    • Ditridecyl hydrogen phosphate
    • 1-Tridecanol, hydrogen phosphate
    • AC1L1XCQ
    • CTK8I9531
    • Di(tridecyl)acid phosphate
    • Ditridecyl acid phosphate
    • Ditridecyl phosphate
    • EINECS 225-851-7
    • EINECS 273-250-3
    • Bis-(tridecan-1-yl)hydrogen phosphate
    • NS00044671
    • 68954-77-8
    • 1-Tridecanol, 1,1'-(hydrogen phosphate)
    • DTXSID60863491
    • 5116-95-0
    • di(tridecyl) phosphoric acid
    • SCHEMBL338224
    • Bis(tridecan-1-yl) hydrogen phosphate
    • W-110012
    • 1-Tridecanol,hydrogen phosphate
    • Inchi: 1S/C26H55O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-31(27,28)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,27,28)
    • InChI Key: XEJNLUBEFCNORG-UHFFFAOYSA-N
    • SMILES: P(=O)(O)(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 462.38405
  • Monoisotopic Mass: 462.384
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 26
  • Complexity: 358
  • 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
  • Topological Polar Surface Area: 55.8A^2
  • XLogP3: 11.2

Experimental Properties

  • Density: 0.94
  • Boiling Point: 532.1°Cat760mmHg
  • Flash Point: 275.6°C
  • Refractive Index: 1.458
  • PSA: 55.76
  • LogP: 9.74200
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