ChemSpider 2D Image | 8-Chloro-6-[(trimethylsilyl)ethynyl]-2H-1,4-benzoxazin-3(4H)-one | C13H14ClNO2Si

8-Chloro-6-[(trimethylsilyl)ethynyl]-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC13H14ClNO2Si
  • Average mass279.794 Da
  • Monoisotopic mass279.048218 Da
  • ChemSpider ID94553101

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 8-chloro-6-[2-(trimethylsilyl)ethynyl]- [ACD/Index Name]
8-Chlor-6-[(trimethylsilyl)ethinyl]-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
8-Chloro-6-[(trimethylsilyl)ethynyl]-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
8-Chloro-6-[(triméthylsilyl)éthynyl]-2H-1,4-benzoxazin-3(4H)-one [French] [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: 388.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 188.5±27.9 °C
Index of Refraction: 1.570
Molar Refractivity: 74.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 683.38
ACD/KOC (pH 5.5): 3720.92
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 683.33
ACD/KOC (pH 7.4): 3720.67
Polar Surface Area: 38 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 226.3±5.0 cm3

Click to predict properties on the Chemicalize site


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