ChemSpider 2D Image | 11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID | C12H22O4S

11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID

  • Molecular FormulaC12H22O4S
  • Average mass262.366 Da
  • Monoisotopic mass262.123871 Da
  • ChemSpider ID22378473

More details:

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

11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID
11-[(sulfanylcarbonyl)oxy]undecanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 387.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.8±6.0 kJ/mol
Flash Point: 188.0±25.7 °C
Index of Refraction: 1.489
Molar Refractivity: 68.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.76
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 238.8±3.0 cm3

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