Try beta.chemspider
2,2'-[1,3-Phenylenebis(methylene)]bis[4-methyl-6-(2-methyl-2-propanyl)phenol]
Oc1c(cc(cc1C(C)(C)C)C)Cc2cccc(c2)Cc3cc(cc(c3O)C(C)(C)C)C
InChI=1S/C30H38O2/c1-19-12-23(27(31)25(14-19)29(3,4)5)17-21-10-9-11-22(16-21)18-24-13-20(2)15-26(28(24)32)30(6,7)8/h9-16,31-32H,17-18H2,1-8H3
KXHKRGUVZUSPTP-UHFFFAOYSA-N
CSID:9277210, http://www.chemspider.com/Chemical-Structure.9277210.html (accessed 16:04, Jun 3, 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) = 9.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 540.51 (Adapted Stein & Brown method) Melting Pt (deg C): 231.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.21E-013 (Modified Grain method) Subcooled liquid VP: 3.69E-011 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): 2.201e-005 log Kow used: 9.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.1849e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.76E-012 atm-m3/mole Group Method: 1.41E-013 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.689E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.99 (KowWin est) Log Kaw used: -9.813 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.803 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6250 Biowin2 (Non-Linear Model) : 0.0811 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6366 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7248 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2656 Biowin6 (MITI Non-Linear Model): 0.0012 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8989 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): 4.92E-009 Pa (3.69E-011 mm Hg) Log Koa (Koawin est ): 19.803 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 610 Octanol/air (Koa) model: 1.56E+007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.8310 E-12 cm3/molecule-sec Half-Life = 0.199 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.384 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.933E+008 Log Koc: 8.467 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 = 0.500 (BCF = 3.162) log Kow used: 9.99 (estimated) Volatilization from Water: Henry LC: 1.41E-013 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.617E+009 hours (3.59E+008 days) Half-Life from Model Lake : 9.4E+010 hours (3.917E+009 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.00365 4.77 1000 Water 0.616 4.32e+003 1000 Soil 50.2 8.64e+003 1000 Sediment 49.2 3.89e+004 0 Persistence Time: 1.4e+004 hr
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