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1-(1,1-Diphenylethyl)-4-methoxybenzene
CC(c1ccccc1)(c2ccccc2)c3ccc(cc3)OC
InChI=1S/C21H20O/c1-21(17-9-5-3-6-10-17,18-11-7-4-8-12-18)19-13-15-20(22-2)16-14-19/h3-16H,1-2H3
SMSPUOPJMJYKCQ-UHFFFAOYSA-N
CSID:12547442, http://www.chemspider.com/Chemical-Structure.12547442.html (accessed 10:38, Apr 25, 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) = 5.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 390.07 (Adapted Stein & Brown method) Melting Pt (deg C): 132.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.2E-006 (Modified Grain method) Subcooled liquid VP: 1.45E-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): 0.1309 log Kow used: 5.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0066891 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.04E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.479E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.90 (KowWin est) Log Kaw used: -3.906 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.806 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8144 Biowin2 (Non-Linear Model) : 0.9542 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3356 (weeks-months) Biowin4 (Primary Survey Model) : 3.3651 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2329 Biowin6 (MITI Non-Linear Model): 0.0865 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3789 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): 0.00193 Pa (1.45E-005 mm Hg) Log Koa (Koawin est ): 9.806 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00155 Octanol/air (Koa) model: 0.00157 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0531 Mackay model : 0.11 Octanol/air (Koa) model: 0.112 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.3860 E-12 cm3/molecule-sec Half-Life = 0.302 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.627 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0818 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.953E+005 Log Koc: 5.695 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 = 3.844 (BCF = 6979) log Kow used: 5.90 (estimated) Volatilization from Water: Henry LC: 3.04E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 328.8 hours (13.7 days) Half-Life from Model Lake : 3729 hours (155.4 days) Removal In Wastewater Treatment: Total removal: 91.68 percent Total biodegradation: 0.77 percent Total sludge adsorption: 90.91 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 0.131 7.26 1000 Water 4.54 900 1000 Soil 37.5 1.8e+003 1000 Sediment 57.8 8.1e+003 0 Persistence Time: 2.36e+003 hr
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