ChemSpider 2D Image | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | C13H18N2O5

2-[1-METHYLHEXYL]-4,6-DINITROPHENOL

  • Molecular FormulaC13H18N2O5
  • Average mass282.292 Da
  • Monoisotopic mass282.121582 Da
  • ChemSpider ID25057311

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(2S)-2-Heptanyl]-4,6-dinitrophenol [ACD/IUPAC Name]
2-[(2S)-2-Heptanyl]-4,6-dinitrophenol [German] [ACD/IUPAC Name]
2-[(2S)-2-Heptanyl]-4,6-dinitrophénol [French] [ACD/IUPAC Name]
2-[1-METHYLHEXYL]-4,6-DINITROPHENOL
Phenol, 2-[(1S)-1-methylhexyl]-4,6-dinitro- [ACD/Index Name]
2-[(2S)-heptan-2-yl]-4,6-dinitrophenol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 362.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 145.1±16.3 °C
Index of Refraction: 1.563
Molar Refractivity: 73.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 198.34
ACD/KOC (pH 5.5): 581.74
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 6.79
ACD/KOC (pH 7.4): 19.91
Polar Surface Area: 112 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 227.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement