ChemSpider 2D Image | 2-[(~2~H_5_)Ethyloxy]-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate | C13H13D5O5S

2-[(2H5)Ethyloxy]-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate

  • Molecular FormulaC13H13D5O5S
  • Average mass291.375 Da
  • Monoisotopic mass291.118866 Da
  • ChemSpider ID110417522

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[(2H5)Ethyloxy]-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate [ACD/IUPAC Name]
2-[(2H5)Ethyloxy]-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl-methansulfonat [German] [ACD/IUPAC Name]
5-Benzofuranol, 2-(ethyl-d5-oxy)-2,3-dihydro-3,3-dimethyl-, methanesulfonate [ACD/Index Name]
Méthanesulfonate de 2-[(2H5)éthyloxy]-3,3-diméthyl-2,3-dihydro-1-benzofuran-5-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 409.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 201.2±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 71.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.91
ACD/KOC (pH 5.5): 347.64
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.91
ACD/KOC (pH 7.4): 347.64
Polar Surface Area: 70 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 224.7±5.0 cm3

Click to predict properties on the Chemicalize site


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