ChemSpider 2D Image | 2-{4-[(1E)-1,2-Diphenyl-1-buten-1-yl]phenoxy}ethyl (2-chloroethyl)nitrosocarbamate | C27H27ClN2O4

2-{4-[(1E)-1,2-Diphenyl-1-buten-1-yl]phenoxy}ethyl (2-chloroethyl)nitrosocarbamate

  • Molecular FormulaC27H27ClN2O4
  • Average mass478.967 Da
  • Monoisotopic mass478.165924 Da
  • ChemSpider ID115297029

  • Double-bond stereo - Double-bond stereo

More details:

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

(2-Chloroéthyl)nitrosocarbamate de 2-{4-[(1E)-1,2-diphényl-1-butén-1-yl]phénoxy}éthyle [French] [ACD/IUPAC Name]
2-{4-[(1E)-1,2-Diphenyl-1-buten-1-yl]phenoxy}ethyl (2-chloroethyl)nitrosocarbamate [ACD/IUPAC Name]
2-{4-[(1E)-1,2-Diphenyl-1-buten-1-yl]phenoxy}ethyl-(2-chlorethyl)nitrosocarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(2-chloroethyl)-N-nitroso-, 2-[4-[(1E)-1,2-diphenyl-1-buten-1-yl]phenoxy]ethyl ester [ACD/Index 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: 581.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.4±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 135.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 8.32
ACD/LogD (pH 5.5): 7.04
ACD/BCF (pH 5.5): 131989.58
ACD/KOC (pH 5.5): 161012.67
ACD/LogD (pH 7.4): 7.04
ACD/BCF (pH 7.4): 131989.58
ACD/KOC (pH 7.4): 161012.67
Polar Surface Area: 68 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 412.7±7.0 cm3

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