ChemSpider 2D Image | 3-Chloro-3-isopropyl-3H-diazirene | C4H7ClN2

3-Chloro-3-isopropyl-3H-diazirene

  • Molecular FormulaC4H7ClN2
  • Average mass118.565 Da
  • Monoisotopic mass118.029778 Da
  • ChemSpider ID57468721

More details:

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

29648-80-4 [RN]
3-Chlor-3-isopropyl-3H-diaziren [German] [ACD/IUPAC Name]
3-Chloro-3-isopropyl-3H-diazirene [ACD/IUPAC Name]
3-Chloro-3-isopropyl-3H-diazirène [French] [ACD/IUPAC Name]
3-Chloro-3-isopropyl-3H-diazirine
3H-Diazirine, 3-chloro-3-(1-methylethyl)- [ACD/Index Name]
3-Chloro-3-(propan-2-yl)-3H-diazirene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 96.4±50.0 °C at 760 mmHg
Vapour Pressure: 49.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.2±3.0 kJ/mol
Flash Point: 12.1±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 29.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.25
ACD/KOC (pH 5.5): 256.05
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.25
ACD/KOC (pH 7.4): 256.05
Polar Surface Area: 25 Å2
Polarizability: 11.6±0.5 10-24cm3
Surface Tension: 36.7±7.0 dyne/cm
Molar Volume: 90.3±7.0 cm3

Click to predict properties on the Chemicalize site


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