ChemSpider 2D Image | 3-Chloro-4-isopropyl-5-propyl-1,2,4-triazolidine | C8H18ClN3

3-Chloro-4-isopropyl-5-propyl-1,2,4-triazolidine

  • Molecular FormulaC8H18ClN3
  • Average mass191.702 Da
  • Monoisotopic mass191.118927 Da
  • ChemSpider ID109333875

More details:

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

1,2,4-Triazolidine, 3-chloro-4-(1-methylethyl)-5-propyl- [ACD/Index Name]
3-Chlor-4-isopropyl-5-propyl-1,2,4-triazolidin [German] [ACD/IUPAC Name]
3-Chloro-4-isopropyl-5-propyl-1,2,4-triazolidine [ACD/IUPAC Name]
3-Chloro-4-isopropyl-5-propyl-1,2,4-triazolidine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 228.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 92.0±27.3 °C
Index of Refraction: 1.508
Molar Refractivity: 53.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.11
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.37
ACD/KOC (pH 7.4): 57.23
Polar Surface Area: 27 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 36.2±5.0 dyne/cm
Molar Volume: 177.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement