Try beta.chemspider
4-Iodo-3,3'-dimethoxybiphenyl
Ic1ccc(cc1OC)c2cccc(OC)c2
InChI=1S/C14H13IO2/c1-16-12-5-3-4-10(8-12)11-6-7-13(15)14(9-11)17-2/h3-9H,1-2H3
ODNMWSWLIHLODJ-UHFFFAOYSA-N
CSID:9101085, http://www.chemspider.com/Chemical-Structure.9101085.html (accessed 03:47, Jul 6, 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) = 5.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 380.99 (Adapted Stein & Brown method) Melting Pt (deg C): 128.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.23E-006 (Modified Grain method) Subcooled liquid VP: 2.4E-005 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): 0.322 log Kow used: 5.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.11929 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.36E-007 atm-m3/mole Group Method: 8.88E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.100E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.09 (KowWin est) Log Kaw used: -4.862 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.952 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0908 Biowin2 (Non-Linear Model) : 0.0007 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2863 (weeks-months) Biowin4 (Primary Survey Model) : 3.3841 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2351 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3650 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): 0.0032 Pa (2.4E-005 mm Hg) Log Koa (Koawin est ): 9.952 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000937 Octanol/air (Koa) model: 0.0022 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0328 Mackay model : 0.0698 Octanol/air (Koa) model: 0.15 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 41.5239 E-12 cm3/molecule-sec Half-Life = 0.258 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.091 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0513 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5236 Log Koc: 3.719 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.216 (BCF = 1645) log Kow used: 5.09 (estimated) Volatilization from Water: Henry LC: 8.88E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 14.04 hours Half-Life from Model Lake : 307.8 hours (12.83 days) Removal In Wastewater Treatment: Total removal: 80.61 percent Total biodegradation: 0.69 percent Total sludge adsorption: 79.26 percent Total to Air: 0.67 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.246 6.18 1000 Water 9.27 900 1000 Soil 64.7 1.8e+003 1000 Sediment 25.7 8.1e+003 0 Persistence Time: 1.35e+003 hr
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