Found 56 results

Search term: MF = 'C_{5}H_{8}N_{4}O_{4}'
ChemSpider 2D Image | 3-(3-Nitro-1H-1,2,4-triazol-1-yl)-1,2-propanediol | C5H8N4O4

3-(3-Nitro-1H-1,2,4-triazol-1-yl)-1,2-propanediol

  • Molecular FormulaC5H8N4O4
  • Average mass188.141 Da
  • Monoisotopic mass188.054550 Da
  • ChemSpider ID41019943

More details:

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

1,2-Propanediol, 3-(3-nitro-1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
3-(3-Nitro-1H-1,2,4-triazol-1-yl)-1,2-propandiol [German] [ACD/IUPAC Name]
3-(3-Nitro-1H-1,2,4-triazol-1-yl)-1,2-propanediol [ACD/IUPAC Name]
3-(3-Nitro-1H-1,2,4-triazol-1-yl)-1,2-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 555.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 289.9±32.9 °C
Index of Refraction: 1.700
Molar Refractivity: 40.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.97
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.97
Polar Surface Area: 117 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 90.6±7.0 dyne/cm
Molar Volume: 104.7±7.0 cm3

Click to predict properties on the Chemicalize site


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