ChemSpider 2D Image | 2-[Butyryl(1,3-diethoxy-1,3-dioxo-2-propanyl)amino]decanoic acid | C21H37NO7

2-[Butyryl(1,3-diethoxy-1,3-dioxo-2-propanyl)amino]decanoic acid

  • Molecular FormulaC21H37NO7
  • Average mass415.521 Da
  • Monoisotopic mass415.256989 Da
  • ChemSpider ID102882362

More details:

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

2-[Butyryl(1,3-diethoxy-1,3-dioxo-2-propanyl)amino]decanoic acid [ACD/IUPAC Name]
2-[Butyryl(1,3-diethoxy-1,3-dioxo-2-propanyl)amino]decansäure [German] [ACD/IUPAC Name]
Acide 2-[butyryl(1,3-diéthoxy-1,3-dioxo-2-propanyl)amino]décanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[(1-carboxynonyl)(1-oxobutyl)amino]-, 1,3-diethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 539.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 89.4±6.0 kJ/mol
Flash Point: 280.1±30.1 °C
Index of Refraction: 1.478
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 11.23
ACD/KOC (pH 5.5): 40.51
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.36
Polar Surface Area: 110 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 381.9±3.0 cm3

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