ChemSpider 2D Image | 3-Butyl-3-(4-pyridinyl)-1-heptanol | C16H27NO

3-Butyl-3-(4-pyridinyl)-1-heptanol

  • Molecular FormulaC16H27NO
  • Average mass249.392 Da
  • Monoisotopic mass249.209259 Da
  • ChemSpider ID21390738

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Butyl-3-(4-pyridinyl)-1-heptanol [ACD/IUPAC Name]
3-Butyl-3-(4-pyridinyl)-1-heptanol [German] [ACD/IUPAC Name]
3-Butyl-3-(4-pyridinyl)-1-heptanol [French] [ACD/IUPAC Name]
3-Butyl-3-(pyridin-4-yl)heptan-1-ol
4-Pyridinepropanol, γ,γ-dibutyl- [ACD/Index Name]
3-butyl-3-(4-pyridyl)heptan-1-ol
3-Butyl-3-pyridin-4-yl-heptan-1-ol
865075-95-2 [RN]
https://mcule.com/MCULE-7023109709
MFCD06637447

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 379.0±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 183.0±20.9 °C
Index of Refraction: 1.496
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 203.21
ACD/KOC (pH 5.5): 1076.91
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 726.81
ACD/KOC (pH 7.4): 3851.65
Polar Surface Area: 33 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 262.4±3.0 cm3

Click to predict properties on the Chemicalize site






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