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

2-[(1,3-Diethoxy-1,3-dioxo-2-propanyl)(isobutyryl)amino]decanoic acid

  • Molecular FormulaC21H37NO7
  • Average mass415.521 Da
  • Monoisotopic mass415.256989 Da
  • ChemSpider ID102879617

More details:

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

2-[(1,3-Diethoxy-1,3-dioxo-2-propanyl)(isobutyryl)amino]decanoic acid [ACD/IUPAC Name]
2-[(1,3-Diethoxy-1,3-dioxo-2-propanyl)(isobutyryl)amino]decansäure [German] [ACD/IUPAC Name]
Acide 2-[(1,3-diéthoxy-1,3-dioxo-2-propanyl)(isobutyryl)amino]décanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[(1-carboxynonyl)(2-methyl-1-oxopropyl)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: 535.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 88.8±6.0 kJ/mol
Flash Point: 277.5±30.1 °C
Index of Refraction: 1.477
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 10.45
ACD/KOC (pH 5.5): 38.44
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.24
Polar Surface Area: 110 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 382.3±3.0 cm3

Click to predict properties on the Chemicalize site


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