Product Name

  • Name

    CYCLOPENTANONE-D8

  • EINECS
  • CAS No. 4477-17-2
  • Article Data3
  • CAS DataBase
  • Density 1.082 g/cm3
  • Solubility
  • Melting Point
  • Formula C5D8O
  • Boiling Point 130.457 °C at 760 mmHg
  • Molecular Weight 92.17
  • Flash Point 30.556 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 4477-17-2 (CYCLOPENTANONE-D8)
  • Hazard Symbols
  • Synonyms Octadeuterocyclopentanone;
  • PSA 17.07000
  • LogP 1.12950

Cyclopentanone-d8 (7CI,8CI,9CI) Specification

The Cyclopentanone-d8 (7CI, 8CI, 9CI), with the CAS registry number of 4477-17-2, is also known as Cyclopentanone-d8. This chemical's molecular formula is C5D8O and molecular weight is 92.17.

Physical properties about Cyclopentanone-d8 (7CI, 8CI, 9CI) are: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.293; (4)ACD/LogD (pH 7.4): 0.293; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.405; (8)ACD/KOC (pH 7.4): 34.405; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 23.189 cm3; (15)Molar Volume: 85.214 cm3; (16)Surface Tension: 34.01 dyne/cm; (17)Density: 1.082 g/cm3; (18)Flash Point: 30.556 °C; (19)Enthalpy of Vaporization: 36.35 kJ/mol; (20)Boiling Point: 130.457 °C at 760 mmHg; (21)Vapour Pressure: 9.702 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C1(C(=O)C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])[2H]
(2) InChI: InChI=1/C5H8O/c6-5-3-1-2-4-5/h1-4H2/i1D2,2D2,3D2,4D2
(3) InChIKey: BGTOWKSIORTVQH-SVYQBANQEG

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