ChemSpider 2D Image | 2-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl 3-iodobenzoate | C18H15IO5

2-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl 3-iodobenzoate

  • Molecular FormulaC18H15IO5
  • Average mass438.213 Da
  • Monoisotopic mass437.996399 Da
  • ChemSpider ID33108811

More details:

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

2-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl 3-iodobenzoate [ACD/IUPAC Name]
2-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl-3-iodbenzoat [German] [ACD/IUPAC Name]
3-Iodobenzoate de 2-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-iodo-, 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 573.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.9±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1535.44
ACD/KOC (pH 5.5): 6642.06
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1535.44
ACD/KOC (pH 7.4): 6642.06
Polar Surface Area: 62 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 272.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement