Try beta.chemspider
4-[(2-Ethylhexyl)oxy]-4''-methoxy-2',5'-dimethyl-1,1':4',1''-terphenyl
CCCCC(CC)COc1ccc(cc1)c2cc(c(cc2C)c3ccc(cc3)OC)C
InChI=1S/C29H36O2/c1-6-8-9-23(7-2)20-31-27-16-12-25(13-17-27)29-19-21(3)28(18-22(29)4)24-10-14-26(30-5)15-11-24/h10-19,23H,6-9,20H2,1-5H3
JBRADUSOIBTZII-UHFFFAOYSA-N
CSID:2034521, http://www.chemspider.com/Chemical-Structure.2034521.html (accessed 00:18, Apr 26, 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) = 10.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 527.71 (Adapted Stein & Brown method) Melting Pt (deg C): 218.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.67E-011 (Modified Grain method) Subcooled liquid VP: 5.43E-009 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): 5.271e-006 log Kow used: 10.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.8431e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.84E-007 atm-m3/mole Group Method: 3.30E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.857E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 10.14 (KowWin est) Log Kaw used: -4.395 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.535 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0308 Biowin2 (Non-Linear Model) : 0.9899 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3109 (weeks-months) Biowin4 (Primary Survey Model) : 3.5329 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2259 Biowin6 (MITI Non-Linear Model): 0.0505 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0981 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): 7.24E-007 Pa (5.43E-009 mm Hg) Log Koa (Koawin est ): 14.535 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.14 Octanol/air (Koa) model: 84.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.993 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 62.3094 E-12 cm3/molecule-sec Half-Life = 0.172 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.060 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.184E+007 Log Koc: 7.339 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 = 0.506 (BCF = 3.206) log Kow used: 10.14 (estimated) Volatilization from Water: Henry LC: 0.00033 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5.704 hours Half-Life from Model Lake : 233.4 hours (9.724 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 0.0494 4.12 1000 Water 1.84 900 1000 Soil 30.2 1.8e+003 1000 Sediment 67.9 8.1e+003 0 Persistence Time: 3.24e+003 hr
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