ChemSpider 2D Image | 4-[Bis(2-hydroxyethyl)amino]-2-butyn-1-yl decanoate | C18H33NO4

4-[Bis(2-hydroxyethyl)amino]-2-butyn-1-yl decanoate

  • Molecular FormulaC18H33NO4
  • Average mass327.459 Da
  • Monoisotopic mass327.240967 Da
  • ChemSpider ID57511475

More details:

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

4-[Bis(2-hydroxyethyl)amino]-2-butin-1-yl-decanoat [German] [ACD/IUPAC Name]
4-[Bis(2-hydroxyethyl)amino]-2-butyn-1-yl decanoate [ACD/IUPAC Name]
Décanoate de 4-[bis(2-hydroxyéthyl)amino]-2-butyn-1-yle [French] [ACD/IUPAC Name]
Decanoic acid, 4-[bis(2-hydroxyethyl)amino]-2-butyn-1-yl ester [ACD/Index Name]
4-(Bis(2-hydroxyethyl)amino)but-2-yn-1-yl decanoate
4-[BIS(2-HYDROXYETHYL)AMINO]BUT-2-YN-1-YL DECANOATE
62787-75-1 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 467.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.0±6.0 kJ/mol
Flash Point: 236.2±27.3 °C
Index of Refraction: 1.496
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 472.33
ACD/KOC (pH 5.5): 2267.95
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1047.06
ACD/KOC (pH 7.4): 5027.65
Polar Surface Area: 70 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 314.7±3.0 cm3

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