Product Name

  • Name

    N-OCTACOSANE-D58

  • EINECS
  • CAS No. 16416-33-4
  • Density 0.923 g/cm3
  • Solubility
  • Melting Point 61-63 °C(lit.)
  • Formula C28D58
  • Boiling Point 431.7 °C at 760 mmHg
  • Molecular Weight 452.308
  • Flash Point 280.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 16416-33-4 (N-OCTACOSANE-D58)
  • Hazard Symbols
  • Synonyms Octacosane-d58(8CI,9CI);
  • PSA 0.00000
  • LogP 11.16880

Octacosane-d58 Specification

This chemical is called Octacosane-d58, and its CAS registry number is 16416-33-4. With the molecular formula of C28D58, its molecular weight is 453.12. Additionally, its product categories are Alphabetical Listings; N-O; Stable Isotopes.

Other characteristics of the Octacosane-d58 can be summarised as followings: (1)ACD/LogP: 15.63; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 15.63; (4)ACD/LogD (pH 7.4): 15.63; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 25; (12)Index of Refraction: 1.449; (13)Molar Refractivity: 131.76 cm3; (14)Molar Volume: 490.7 cm3; (15)Polarizability: 52.23×10-24cm3; (16)Surface Tension: 29.7 dyne/cm; (17)Density: 0.923 g/cm3; (18)Flash Point: 280.1 °C; (19)Enthalpy of Vaporization: 66.08 kJ/mol; (20)Boiling Point: 431.7 °C at 760 mmHg; (21)Vapour Pressure: 2.96E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [2H]C([2H])(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C ([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
2.InChI: InChI=1/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2,22D2,23D2,24D2,25D2,26D2,27D2,28D2 3.InChIKey: ZYURHZPYMFLWSH-ABYBKZRIET

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