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2'-Methoxy-4-(2-methyl-2-octanyl)-2-biphenylol
CCCCCCC(C)(C)C1=CC(=C(C=C1)C2=CC=CC=C2OC)O
InChI=1S/C22H30O2/c1-5-6-7-10-15-22(2,3)17-13-14-18(20(23)16-17)19-11-8-9-12-21(19)24-4/h8-9,11-14,16,23H,5-7,10,15H2,1-4H3
WXRCAYBWSXUGLS-UHFFFAOYSA-N
CSID:9465324, http://www.chemspider.com/Chemical-Structure.9465324.html (accessed 15:47, Jun 14, 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) = 7.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 436.06 (Adapted Stein & Brown method) Melting Pt (deg C): 168.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.38E-009 (Modified Grain method) Subcooled liquid VP: 1.93E-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): 0.008277 log Kow used: 7.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.010483 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.71E-008 atm-m3/mole Group Method: 5.23E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.311E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.72 (KowWin est) Log Kaw used: -5.955 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.675 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7643 Biowin2 (Non-Linear Model) : 0.8389 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5622 (weeks-months) Biowin4 (Primary Survey Model) : 3.6091 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3742 Biowin6 (MITI Non-Linear Model): 0.1648 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4135 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): 2.57E-005 Pa (1.93E-007 mm Hg) Log Koa (Koawin est ): 13.675 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.117 Octanol/air (Koa) model: 11.6 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.808 Mackay model : 0.903 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 76.0891 E-12 cm3/molecule-sec Half-Life = 0.141 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.687 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.856 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.232E+006 Log Koc: 6.091 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 = 3.820 (BCF = 6605) log Kow used: 7.72 (estimated) Volatilization from Water: Henry LC: 5.23E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2025 hours (84.36 days) Half-Life from Model Lake : 2.224E+004 hours (926.6 days) Removal In Wastewater Treatment: Total removal: 94.00 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.22 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 0.0433 3.37 1000 Water 1.91 900 1000 Soil 29.8 1.8e+003 1000 Sediment 68.2 8.1e+003 0 Persistence Time: 3.19e+003 hr
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