ChemSpider 2D Image | Allyl (3E)-4-(allyloxy)-3-(dibutoxyphosphoryl)-4-hydroxy-3-butenoate | C18H31O7P

Allyl (3E)-4-(allyloxy)-3-(dibutoxyphosphoryl)-4-hydroxy-3-butenoate

  • Molecular FormulaC18H31O7P
  • Average mass390.408 Da
  • Monoisotopic mass390.180725 Da
  • ChemSpider ID95766173

More details:

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

(3E)-4-(Allyloxy)-3-(dibutoxyphosphoryl)-4-hydroxy-3-buténoate d'allyle [French] [ACD/IUPAC Name]
3-Butenoic acid, 3-(dibutoxyphosphinyl)-4-hydroxy-4-(2-propen-1-yloxy)-, 2-propen-1-yl ester, (3E)- [ACD/Index Name]
Allyl (3E)-4-(allyloxy)-3-(dibutoxyphosphoryl)-4-hydroxy-3-butenoate [ACD/IUPAC Name]
Allyl-(3E)-4-(allyloxy)-3-(dibutoxyphosphoryl)-4-hydroxy-3-butenoat [German] [ACD/IUPAC 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: 506.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.3±6.0 kJ/mol
Flash Point: 259.8±30.1 °C
Index of Refraction: 1.478
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3047.59
ACD/KOC (pH 5.5): 10822.24
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 1800.90
ACD/KOC (pH 7.4): 6395.14
Polar Surface Area: 101 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 353.3±3.0 cm3

Click to predict properties on the Chemicalize site


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