Found 13 results

Search term: MF = 'C_{22}H_{22}O_{5}S_{2}'
ChemSpider 2D Image | 2-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl 4-(1,3-dithian-2-yl)benzoate | C22H22O5S2

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

  • Molecular FormulaC22H22O5S2
  • Average mass430.537 Da
  • Monoisotopic mass430.090851 Da
  • ChemSpider ID22055349

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 4-(1,3-dithian-2-yl)benzoate [ACD/IUPAC Name]
2-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl-4-(1,3-dithian-2-yl)benzoat [German] [ACD/IUPAC Name]
4-(1,3-Dithian-2-yl)benzoate de 2-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(1,3-dithian-2-yl)-, 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: 1.3±0.1 g/cm3
Boiling Point: 665.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 351.5±19.5 °C
Index of Refraction: 1.620
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3826.71
ACD/KOC (pH 5.5): 12769.69
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3826.71
ACD/KOC (pH 7.4): 12769.69
Polar Surface Area: 112 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 330.1±3.0 cm3

Click to predict properties on the Chemicalize site


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