ChemSpider 2D Image | 2-Butyl-2,11-dimethyl-11-{[(3-pyridinylcarbonyl)oxy]methyl}pentadecyl nicotinate | C34H52N2O4

2-Butyl-2,11-dimethyl-11-{[(3-pyridinylcarbonyl)oxy]methyl}pentadecyl nicotinate

  • Molecular FormulaC34H52N2O4
  • Average mass552.788 Da
  • Monoisotopic mass552.392700 Da
  • ChemSpider ID2329480

More details:

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

2-Butyl-2,11-dimethyl-11-{[(3-pyridinylcarbonyl)oxy]methyl}pentadecyl nicotinate [ACD/IUPAC Name]
2-Butyl-2,11-dimethyl-11-{[(3-pyridinylcarbonyl)oxy]methyl}pentadecyl-nicotinat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2,11-dibutyl-2,11-dimethyl-1,12-dodecanediyl ester [ACD/Index Name]
Nicotinate de 2-butyl-2,11-diméthyl-11-{[(3-pyridinylcarbonyl)oxy]méthyl}pentadécyle [French] [ACD/IUPAC Name]
2-BUTYL-2,11-DIMETHYL-11-[(PYRIDINE-3-CARBONYLOXY)METHYL]PENTADECYL PYRIDINE-3-CARBOXYLATE
85018-82-2 [RN]
Nicotinic acid, 2,11-dibutyl-2,11-dimethyldodecamethylene ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 618.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 327.7±24.6 °C
Index of Refraction: 1.512
Molar Refractivity: 162.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 10.90
ACD/LogD (pH 5.5): 10.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6828192.50
ACD/LogD (pH 7.4): 10.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6894812.00
Polar Surface Area: 78 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 542.8±3.0 cm3

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