Try beta.chemspider
1,1'-(1-Phenyl-1,1-ethanediyl)bis(4-methoxybenzene)
CC(c1ccccc1)(c2ccc(cc2)OC)c3ccc(cc3)OC
InChI=1S/C22H22O2/c1-22(17-7-5-4-6-8-17,18-9-13-20(23-2)14-10-18)19-11-15-21(24-3)16-12-19/h4-16H,1-3H3
OIUAXXGOJYWUPP-UHFFFAOYSA-N
CSID:12547433, http://www.chemspider.com/Chemical-Structure.12547433.html (accessed 23:09, Jul 5, 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) = 5.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 413.72 (Adapted Stein & Brown method) Melting Pt (deg C): 149.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.06E-007 (Modified Grain method) Subcooled liquid VP: 3.85E-006 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): 0.07454 log Kow used: 5.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0034753 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.80E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.158E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.98 (KowWin est) Log Kaw used: -5.133 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.113 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8039 Biowin2 (Non-Linear Model) : 0.9552 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1892 (months ) Biowin4 (Primary Survey Model) : 3.3940 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3310 Biowin6 (MITI Non-Linear Model): 0.1190 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4032 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): 0.000513 Pa (3.85E-006 mm Hg) Log Koa (Koawin est ): 11.113 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00584 Octanol/air (Koa) model: 0.0318 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.174 Mackay model : 0.319 Octanol/air (Koa) model: 0.718 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.7175 E-12 cm3/molecule-sec Half-Life = 0.185 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.224 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.246 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.526E+005 Log Koc: 5.547 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 = 3.906 (BCF = 8055) log Kow used: 5.98 (estimated) Volatilization from Water: Henry LC: 1.8E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5806 hours (241.9 days) Half-Life from Model Lake : 6.349E+004 hours (2645 days) Removal In Wastewater Treatment: Total removal: 92.07 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.30 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 0.047 4.45 1000 Water 3.02 1.44e+003 1000 Soil 39 2.88e+003 1000 Sediment 58 1.3e+004 0 Persistence Time: 3.86e+003 hr
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