ChemSpider 2D Image | Diethyl [(1S,2E)-1-hydroxy-2-buten-1-yl]phosphonate | C8H17O4P

Diethyl [(1S,2E)-1-hydroxy-2-buten-1-yl]phosphonate

  • Molecular FormulaC8H17O4P
  • Average mass208.192 Da
  • Monoisotopic mass208.086441 Da
  • ChemSpider ID74108968

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1S,2E)-1-Hydroxy-2-butén-1-yl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [(1S,2E)-1-hydroxy-2-buten-1-yl]phosphonate [ACD/IUPAC Name]
Diethyl-[(1S,2E)-1-hydroxy-2-buten-1-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(1S,2E)-1-hydroxy-2-buten-1-yl]-, diethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 290.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.5±6.0 kJ/mol
Flash Point: 129.4±25.4 °C
Index of Refraction: 1.453
Molar Refractivity: 51.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 35.35
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 35.35
Polar Surface Area: 66 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 189.0±3.0 cm3

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