ChemSpider 2D Image | 1-[2-Nitro(3-~2~H)phenyl]ethanol | C8H8DNO3

1-[2-Nitro(3-2H)phenyl]ethanol

  • Molecular FormulaC8H8DNO3
  • Average mass168.168 Da
  • Monoisotopic mass168.064514 Da
  • ChemSpider ID8505154
  • Non-standard isotope - Non-standard isotope


More details:






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

1-[2-Nitro(3-2H)phenyl]ethanol [ACD/IUPAC Name]
1-[2-Nitro(3-2H)phenyl]ethanol [German] [ACD/IUPAC Name]
1-[2-Nitro(3-2H)phényl]éthanol [French] [ACD/IUPAC Name]
Benzene-3-d-methanol, α-methyl-2-nitro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 319.0±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 143.4±9.4 °C
Index of Refraction: 1.577
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.03
ACD/KOC (pH 5.5): 126.00
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.03
ACD/KOC (pH 7.4): 126.00
Polar Surface Area: 66 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 132.3±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement