Found 58 results

Search term: MF = 'C_{19}H_{19}ClO_{5}S'
ChemSpider 2D Image | (9-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl 3-[(methylsulfinyl)methyl]benzoate | C19H19ClO5S

(9-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl 3-[(methylsulfinyl)methyl]benzoate

  • Molecular FormulaC19H19ClO5S
  • Average mass394.869 Da
  • Monoisotopic mass394.064178 Da
  • ChemSpider ID30599353

More details:

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

(9-Chlor-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl-3-[(methylsulfinyl)methyl]benzoat [German] [ACD/IUPAC Name]
(9-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl 3-[(methylsulfinyl)methyl]benzoate [ACD/IUPAC Name]
3-[(Méthylsulfinyl)méthyl]benzoate de (9-chloro-3,4-dihydro-2H-1,5-benzodioxépin-7-yl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(methylsulfinyl)methyl]-, (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 609.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.6±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.43
ACD/KOC (pH 5.5): 1692.96
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.43
ACD/KOC (pH 7.4): 1692.96
Polar Surface Area: 81 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 289.0±3.0 cm3

Click to predict properties on the Chemicalize site


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