ChemSpider 2D Image | Diethyl [6-({4'-[(4-nitrobenzyl)oxy]-4-biphenylyl}oxy)hexyl]malonate | C32H37NO8

Diethyl [6-({4'-[(4-nitrobenzyl)oxy]-4-biphenylyl}oxy)hexyl]malonate

  • Molecular FormulaC32H37NO8
  • Average mass563.638 Da
  • Monoisotopic mass563.251892 Da
  • ChemSpider ID24764360

More details:

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

[6-({4'-[(4-Nitrobenzyl)oxy]-4-biphénylyl}oxy)hexyl]malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [6-({4'-[(4-nitrobenzyl)oxy]-4-biphenylyl}oxy)hexyl]malonate [ACD/IUPAC Name]
Diethyl-[6-({4'-[(4-nitrobenzyl)oxy]-4-biphenylyl}oxy)hexyl]malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[6-[[4'-[(4-nitrophenyl)methoxy][1,1'-biphenyl]-4-yl]oxy]hexyl]-, diethyl ester [ACD/Index Name]
1,3-DIETHYL 2-[6-({4'-[(4-NITROPHENYL)METHOXY]-[1,1'-BIPHENYL]-4-YL}OXY)HEXYL]PROPANEDIOATE
diethyl 2-[6-(4-{4-[(4-nitrophenyl)methoxy]phenyl}phenoxy)hexyl]propane-1,3-dioate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 686.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 230.5±33.5 °C
Index of Refraction: 1.555
Molar Refractivity: 154.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 172974.20
ACD/KOC (pH 5.5): 195399.56
ACD/LogD (pH 7.4): 7.20
ACD/BCF (pH 7.4): 172973.63
ACD/KOC (pH 7.4): 195398.92
Polar Surface Area: 117 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 480.7±3.0 cm3

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