ChemSpider 2D Image | 4-Allyl-2-methoxy-5-nitrophenyl acetate | C12H13NO5

4-Allyl-2-methoxy-5-nitrophenyl acetate

  • Molecular FormulaC12H13NO5
  • Average mass251.235 Da
  • Monoisotopic mass251.079376 Da
  • ChemSpider ID21128287

More details:

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

4-Allyl-2-methoxy-5-nitrophenyl acetate [ACD/IUPAC Name]
4-Allyl-2-methoxy-5-nitrophenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-allyl-2-méthoxy-5-nitrophényle [French] [ACD/IUPAC Name]
Phenol, 2-methoxy-5-nitro-4-(2-propen-1-yl)-, acetate (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: 342.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.6±3.0 kJ/mol
Flash Point: 139.7±29.9 °C
Index of Refraction: 1.537
Molar Refractivity: 64.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.26
ACD/KOC (pH 5.5): 638.61
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.26
ACD/KOC (pH 7.4): 638.61
Polar Surface Area: 81 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 207.3±3.0 cm3

Click to predict properties on the Chemicalize site


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