ChemSpider 2D Image | 4-(Butylsulfonyl)octahydro-2H-1,4-benzoxazine | C12H23NO3S

4-(Butylsulfonyl)octahydro-2H-1,4-benzoxazine

  • Molecular FormulaC12H23NO3S
  • Average mass261.381 Da
  • Monoisotopic mass261.139862 Da
  • ChemSpider ID25956792

More details:

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

2H-1,4-Benzoxazine, 4-(butylsulfonyl)octahydro- [ACD/Index Name]
4-(Butylsulfonyl)octahydro-2H-1,4-benzoxazin [German] [ACD/IUPAC Name]
4-(Butylsulfonyl)octahydro-2H-1,4-benzoxazine [ACD/IUPAC Name]
4-(Butylsulfonyl)octahydro-2H-1,4-benzoxazine [French] [ACD/IUPAC Name]
1225331-13-4 [RN]
4-butylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 385.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 186.9±30.7 °C
Index of Refraction: 1.521
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.55
ACD/KOC (pH 5.5): 421.02
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.55
ACD/KOC (pH 7.4): 421.02
Polar Surface Area: 55 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 223.0±5.0 cm3

Click to predict properties on the Chemicalize site


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