ChemSpider 2D Image | Ethyl 2-(diethoxyphosphoryl)-4-nitro-3-(4-nitrophenyl)hexanoate | C18H27N2O9P

Ethyl 2-(diethoxyphosphoryl)-4-nitro-3-(4-nitrophenyl)hexanoate

  • Molecular FormulaC18H27N2O9P
  • Average mass446.389 Da
  • Monoisotopic mass446.145416 Da
  • ChemSpider ID24775209

More details:

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

2-(Diéthoxyphosphoryl)-4-nitro-3-(4-nitrophényl)hexanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-(diethoxyphosphinyl)-4-nitro-β-(1-nitropropyl)-, ethyl ester [ACD/Index Name]
Ethyl 2-(diethoxyphosphoryl)-4-nitro-3-(4-nitrophenyl)hexanoate [ACD/IUPAC Name]
Ethyl-2-(diethoxyphosphoryl)-4-nitro-3-(4-nitrophenyl)hexanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 578.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.5±30.1 °C
Index of Refraction: 1.515
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 165.53
ACD/KOC (pH 5.5): 1330.69
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 36.28
ACD/KOC (pH 7.4): 291.65
Polar Surface Area: 163 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 353.8±3.0 cm3

Click to predict properties on the Chemicalize site


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