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1-Isopropyl-2-{2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy}-4-methylbenzene
Cc1ccc(c(c1)OCCOCCOc2ccc(cc2OC)C)C(C)C
InChI=1S/C22H30O4/c1-16(2)19-8-6-17(3)14-21(19)26-13-11-24-10-12-25-20-9-7-18(4)15-22(20)23-5/h6-9,14-16H,10-13H2,1-5H3
YSQDEHFLCAMXCN-UHFFFAOYSA-N
CSID:2173455, http://www.chemspider.com/Chemical-Structure.2173455.html (accessed 11:15, May 13, 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) = 5.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 427.89 (Adapted Stein & Brown method) Melting Pt (deg C): 162.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.69E-008 (Modified Grain method) Subcooled liquid VP: 1.73E-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): 0.08288 log Kow used: 5.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.013625 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.99E-009 atm-m3/mole Group Method: 3.70E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.807E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.65 (KowWin est) Log Kaw used: -6.787 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.437 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7893 Biowin2 (Non-Linear Model) : 0.9510 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9994 (months ) Biowin4 (Primary Survey Model) : 3.3466 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5542 Biowin6 (MITI Non-Linear Model): 0.3570 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4194 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): 0.000231 Pa (1.73E-006 mm Hg) Log Koa (Koawin est ): 12.437 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.013 Octanol/air (Koa) model: 0.671 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.32 Mackay model : 0.51 Octanol/air (Koa) model: 0.982 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 147.5229 E-12 cm3/molecule-sec Half-Life = 0.073 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.870 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.415 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.287E+004 Log Koc: 4.723 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 = 3.648 (BCF = 4446) log Kow used: 5.65 (estimated) Volatilization from Water: Henry LC: 3.7E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2998 hours (124.9 days) Half-Life from Model Lake : 3.286E+004 hours (1369 days) Removal In Wastewater Treatment: Total removal: 89.90 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.15 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 0.0245 1.74 1000 Water 4.51 1.44e+003 1000 Soil 44.5 2.88e+003 1000 Sediment 50.9 1.3e+004 0 Persistence Time: 3.21e+003 hr
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