ChemSpider 2D Image | O-(6-Chloro-3-phenyl-4-pyridazinyl) S-(1,1,2,2,3,3,4,4,5,5,6,6-~2~H_12_)octyl carbonothioate | C19H11D12ClN2O2S

O-(6-Chloro-3-phenyl-4-pyridazinyl) S-(1,1,2,2,3,3,4,4,5,5,6,6-2H12)octyl carbonothioate

  • Molecular FormulaC19H11D12ClN2O2S
  • Average mass390.990 Da
  • Monoisotopic mass390.192200 Da
  • ChemSpider ID107438664

  • Non-standard isotope - Non-standard isotope

More details:

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

Carbonothioate de O-(6-chloro-3-phényl-4-pyridazinyle) et de S-(1,1,2,2,3,3,4,4,5,5,6,6-2H12)octyle [French] [ACD/IUPAC Name]
Carbonothioic acid, O-(6-chloro-3-phenyl-4-pyridazinyl) S-octyl-1,1,2,2,3,3,4,4,5,5,6,6-d12 ester [ACD/Index Name]
O-(6-Chlor-3-phenyl-4-pyridazinyl)-S-(1,1,2,2,3,3,4,4,5,5,6,6-2H12)octylcarbonothioat [German] [ACD/IUPAC Name]
O-(6-Chloro-3-phenyl-4-pyridazinyl) S-(1,1,2,2,3,3,4,4,5,5,6,6-2H12)octyl carbonothioate [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 544.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.3±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 103.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 80628.55
ACD/KOC (pH 5.5): 113147.42
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 80628.55
ACD/KOC (pH 7.4): 113147.42
Polar Surface Area: 77 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 320.3±3.0 cm3

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