ChemSpider 2D Image | 2-{3-[(2R,3R,4R)-2,4-Dimethyl-3-propylheptyl]phenoxy}ethyl carbonochloridate | C21H33ClO3

2-{3-[(2R,3R,4R)-2,4-Dimethyl-3-propylheptyl]phenoxy}ethyl carbonochloridate

  • Molecular FormulaC21H33ClO3
  • Average mass368.938 Da
  • Monoisotopic mass368.211823 Da
  • ChemSpider ID95601094

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-{3-[(2R,3R,4R)-2,4-Dimethyl-3-propylheptyl]phenoxy}ethyl carbonochloridate [ACD/IUPAC Name]
2-{3-[(2R,3R,4R)-2,4-Dimethyl-3-propylheptyl]phenoxy}ethylcarbonochloridat [German] [ACD/IUPAC Name]
Carbonochloridate de 2-{3-[(2R,3R,4R)-2,4-diméthyl-3-propylheptyl]phénoxy}éthyle [French] [ACD/IUPAC Name]
Carbonochloridic acid, 2-[3-[(2R,3R,4R)-2,4-dimethyl-3-propylheptyl]phenoxy]ethyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 446.0±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 138.1±23.0 °C
Index of Refraction: 1.492
Molar Refractivity: 104.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 8.58
ACD/LogD (pH 5.5): 7.84
ACD/BCF (pH 5.5): 536845.50
ACD/KOC (pH 5.5): 439538.84
ACD/LogD (pH 7.4): 7.84
ACD/BCF (pH 7.4): 536845.50
ACD/KOC (pH 7.4): 439538.84
Polar Surface Area: 36 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 360.3±3.0 cm3

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