Try beta.chemspider
N-Acetoxy-N-(7-iodo-9H-fluoren-2-yl)acetamide
CC(=O)N(c1ccc-2c(c1)Cc3c2ccc(c3)I)OC(=O)C
InChI=1S/C17H14INO3/c1-10(20)19(22-11(2)21)15-4-6-17-13(9-15)7-12-8-14(18)3-5-16(12)17/h3-6,8-9H,7H2,1-2H3
XKWODJSXGCRTOO-UHFFFAOYSA-N
CSID:97211, http://www.chemspider.com/Chemical-Structure.97211.html (accessed 07:29, Apr 29, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 463.92 (Adapted Stein & Brown method) Melting Pt (deg C): 195.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.54E-009 (Modified Grain method) Subcooled liquid VP: 2.21E-007 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.814 log Kow used: 3.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14.635 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.22E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.262E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.13 (KowWin est) Log Kaw used: -8.042 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.172 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6084 Biowin2 (Non-Linear Model) : 0.1001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2244 (months ) Biowin4 (Primary Survey Model) : 3.1917 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5110 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0483 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.95E-005 Pa (2.21E-007 mm Hg) Log Koa (Koawin est ): 11.172 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.102 Octanol/air (Koa) model: 0.0365 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.786 Mackay model : 0.891 Octanol/air (Koa) model: 0.745 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 144.9152 E-12 cm3/molecule-sec Half-Life = 0.074 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.886 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 13.763400 E-17 cm3/molecule-sec Half-Life = 0.083 Days (at 7E11 mol/cm3) Half-Life = 1.998 Hrs Fraction sorbed to airborne particulates (phi): 0.838 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1499 Log Koc: 3.176 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.359E+004 L/mol-sec Kb Half-Life at pH 8: 51.003 seconds Kb Half-Life at pH 7: 8.501 minutes Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.714 (BCF = 51.71) log Kow used: 3.13 (estimated) Volatilization from Water: Henry LC: 2.22E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.322E+006 hours (2.217E+005 days) Half-Life from Model Lake : 5.806E+007 hours (2.419E+006 days) Removal In Wastewater Treatment: Total removal: 6.96 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.83 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0055 0.939 1000 Water 11.2 1.44e+003 1000 Soil 88.4 2.88e+003 1000 Sediment 0.383 1.3e+004 0 Persistence Time: 2.38e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight