ChemSpider 2D Image | Dibutyl [(1S)-1,3,3-trimethyl-5-oxocyclohexyl]phosphonate | C17H33O4P

Dibutyl [(1S)-1,3,3-trimethyl-5-oxocyclohexyl]phosphonate

  • Molecular FormulaC17H33O4P
  • Average mass332.415 Da
  • Monoisotopic mass332.211639 Da
  • ChemSpider ID62453855

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1S)-1,3,3-Triméthyl-5-oxocyclohexyl]phosphonate de dibutyle [French] [ACD/IUPAC Name]
Dibutyl [(1S)-1,3,3-trimethyl-5-oxocyclohexyl]phosphonate [ACD/IUPAC Name]
Dibutyl-[(1S)-1,3,3-trimethyl-5-oxocyclohexyl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(1S)-1,3,3-trimethyl-5-oxocyclohexyl]-, dibutyl 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: 413.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 217.3±46.0 °C
Index of Refraction: 1.459
Molar Refractivity: 89.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 237.42
ACD/KOC (pH 5.5): 1745.83
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 237.42
ACD/KOC (pH 7.4): 1745.83
Polar Surface Area: 62 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 34.8±5.0 dyne/cm
Molar Volume: 325.7±5.0 cm3

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