ChemSpider 2D Image | Diethyl [(3S)-3-hydroxy-1-buten-1-yl]phosphonate | C8H17O4P

Diethyl [(3S)-3-hydroxy-1-buten-1-yl]phosphonate

  • Molecular FormulaC8H17O4P
  • Average mass208.192 Da
  • Monoisotopic mass208.086441 Da
  • ChemSpider ID57537514

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S)-3-Hydroxy-1-butén-1-yl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [(3S)-3-hydroxy-1-buten-1-yl]phosphonate [ACD/IUPAC Name]
Diethyl-[(3S)-3-hydroxy-1-buten-1-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(3S)-3-hydroxy-1-buten-1-yl]-, diethyl ester [ACD/Index Name]
497963-24-3 [RN]
Diethyl [(3S)-3-hydroxybut-1-en-1-yl]phosphonate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 307.9±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.6±6.0 kJ/mol
Flash Point: 140.0±25.7 °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: 1.74
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.17
ACD/KOC (pH 5.5): 79.44
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.17
ACD/KOC (pH 7.4): 79.44
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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