ChemSpider 2D Image | Diisopropyl {[({[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]sulfonyl}methyl)sulfonyl]methyl}phosphonate | C18H27O10PS2

Diisopropyl {[({[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]sulfonyl}methyl)sulfonyl]methyl}phosphonate

  • Molecular FormulaC18H27O10PS2
  • Average mass498.505 Da
  • Monoisotopic mass498.078308 Da
  • ChemSpider ID30654096

  • Double-bond stereo - Double-bond stereo

More details:

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

{[({[(E)-2-(7-Méthoxy-1,3-benzodioxol-5-yl)vinyl]sulfonyl}méthyl)sulfonyl]méthyl}phosphonate de diisopropyle [French] [ACD/IUPAC Name]
Diisopropyl {[({[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]sulfonyl}methyl)sulfonyl]methyl}phosphonate [ACD/IUPAC Name]
Diisopropyl-{[({[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]sulfonyl}methyl)sulfonyl]methyl}phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[[[[[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]sulfonyl]methyl]sulfonyl]methyl]-, bis(1-methylethyl) ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 706.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 381.2±32.9 °C
Index of Refraction: 1.540
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.95
ACD/KOC (pH 5.5): 153.51
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.95
ACD/KOC (pH 7.4): 153.51
Polar Surface Area: 158 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 360.8±3.0 cm3

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