ChemSpider 2D Image | Ethyl 4-{4-[2-(2-butoxyethoxy)-2-oxoethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl}-4-oxobutanoate | C22H29NO8

Ethyl 4-{4-[2-(2-butoxyethoxy)-2-oxoethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl}-4-oxobutanoate

  • Molecular FormulaC22H29NO8
  • Average mass435.468 Da
  • Monoisotopic mass435.189331 Da
  • ChemSpider ID27356684

More details:

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

2H-1,4-Benzoxazine-6-butanoic acid, 4-[2-(2-butoxyethoxy)-2-oxoethyl]-3,4-dihydro-γ,3-dioxo-, ethyl ester [ACD/Index Name]
4-{4-[2-(2-Butoxyéthoxy)-2-oxoéthyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl}-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-[2-(2-butoxyethoxy)-2-oxoethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl}-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-{4-[2-(2-butoxyethoxy)-2-oxoethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl}-4-oxobutanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 625.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.0±31.5 °C
Index of Refraction: 1.520
Molar Refractivity: 110.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.95
ACD/KOC (pH 5.5): 1202.02
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.95
ACD/KOC (pH 7.4): 1202.02
Polar Surface Area: 108 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 362.4±3.0 cm3

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