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Search term: SISDGGGHEWAVOI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2,4,5-Trinitrophenol | C6H3N3O7

2,4,5-Trinitrophenol

  • Molecular FormulaC6H3N3O7
  • Average mass229.104 Da
  • Monoisotopic mass228.997101 Da
  • ChemSpider ID95662860

More details:

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

2,4,5-Trinitrophenol [German] [ACD/IUPAC Name]
2,4,5-Trinitrophenol [ACD/IUPAC Name]
2,4,5-Trinitrophénol [French] [ACD/IUPAC Name]
Phenol, 2,4,5-trinitro- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 414.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 187.7±17.2 °C
Index of Refraction: 1.702
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 98.5±3.0 dyne/cm
Molar Volume: 123.4±3.0 cm3

Click to predict properties on the Chemicalize site


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