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9-Heptadecanol

  • Name 9-Heptadecanol
  • EINECSN/A
  • CAS No. 624-08-8
  • Density0.835 g/cm3
  • PSA20.23000
  • LogP5.84850
  • SolubilityN/A
  • Melting Point58.0 to 62.0 °C
  • FormulaC17H36O
  • Boiling Point318.2 °C at 760 mmHg
  • Molecular Weight256.472
  • Flash Point122 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 624-08-8 (9-Heptadecanol)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data30

9-Heptadecanol Specification

The 9-Heptadecanol is an organic compound with the formula C17H36O. With the CAS registry number 624-08-8, the IUPAC name of this chemical is heptadecan-9-ol.

Physical properties about 9-Heptadecanol are: (1)ACD/LogP: 7.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.6; (4)ACD/LogD (pH 7.4): 7.6; (5)ACD/BCF (pH 5.5): 350824.72; (6)ACD/BCF (pH 7.4): 350824.72; (7)ACD/KOC (pH 5.5): 324152.13; (8)ACD/KOC (pH 7.4): 324152.13; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 82.3 cm3; (15)Molar Volume: 307 cm3; (16)Polarizability: 32.62×10-24cm3; (17)Surface Tension: 30.6 dyne/cm; (18)Density: 0.835 g/cm3; (19)Flash Point: 122 °C; (20)Enthalpy of Vaporization: 64.88 kJ/mol; (21)Boiling Point: 318.2 °C at 760 mmHg; (22)Vapour Pressure: 3.05E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(CCCCCCCC)CCCCCCCC
(2)InChI: InChI=1/C17H36O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
(3)InChIKey: WTWWTKPAEZQYPW-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C17H36O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
(5)Std. InChIKey: WTWWTKPAEZQYPW-UHFFFAOYSA-N

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