ChemSpider 2D Image | 3-{[4-{2-[4-(2-Oxiranylmethoxy)(~2~H_4_)phenyl]-2-propanyl}(~2~H_4_)phenyl]oxy}-1,2-propanediol | C21H18D8O5

3-{[4-{2-[4-(2-Oxiranylmethoxy)(2H4)phenyl]-2-propanyl}(2H4)phenyl]oxy}-1,2-propanediol

  • Molecular FormulaC21H18D8O5
  • Average mass366.477 Da
  • Monoisotopic mass366.228241 Da
  • ChemSpider ID107439675

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Propanediol, 3-[[4-[1-methyl-1-[4-(oxiranylmethoxy)phenyl-2,3,5,6-d4]ethyl]phenyl-2,3,5,6-d4]oxy]- [ACD/Index Name]
3-{[4-{2-[4-(2-Oxiranylmethoxy)(2H4)phenyl]-2-propanyl}(2H4)phenyl]oxy}-1,2-propandiol [German] [ACD/IUPAC Name]
3-{[4-{2-[4-(2-Oxiranylmethoxy)(2H4)phenyl]-2-propanyl}(2H4)phenyl]oxy}-1,2-propanediol [ACD/IUPAC Name]
3-{[4-{2-[4-(2-Oxiranylméthoxy)(2H4)phényl]-2-propanyl}(2H4)phényl]oxy}-1,2-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 288.2±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 98.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.27
ACD/KOC (pH 5.5): 582.84
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.27
ACD/KOC (pH 7.4): 582.84
Polar Surface Area: 71 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 299.4±3.0 cm3

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