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4-Allyl-1-{2-[2-(2,4-dimethylphenoxy)ethoxy]ethoxy}-2-methoxybenzene
Cc1ccc(c(c1)C)OCCOCCOc2ccc(cc2OC)CC=C
InChI=1S/C22H28O4/c1-5-6-19-8-10-21(22(16-19)23-4)26-14-12-24-11-13-25-20-9-7-17(2)15-18(20)3/h5,7-10,15-16H,1,6,11-14H2,2-4H3
ICYRMFSMZIESOM-UHFFFAOYSA-N
CSID:2172763, http://www.chemspider.com/Chemical-Structure.2172763.html (accessed 23:17, May 9, 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) = 5.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 434.02 (Adapted Stein & Brown method) Melting Pt (deg C): 162.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.69E-008 (Modified Grain method) Subcooled liquid VP: 1.22E-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): 0.09647 log Kow used: 5.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0083647 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.97E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.280E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.58 (KowWin est) Log Kaw used: -6.916 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.496 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7902 Biowin2 (Non-Linear Model) : 0.9523 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0038 (months ) Biowin4 (Primary Survey Model) : 3.3495 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5320 Biowin6 (MITI Non-Linear Model): 0.2951 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5212 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): 0.000163 Pa (1.22E-006 mm Hg) Log Koa (Koawin est ): 12.496 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0184 Octanol/air (Koa) model: 0.769 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.4 Mackay model : 0.596 Octanol/air (Koa) model: 0.984 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 134.9026 E-12 cm3/molecule-sec Half-Life = 0.079 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.951 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.498 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.179E+004 Log Koc: 4.791 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 = 3.600 (BCF = 3977) log Kow used: 5.58 (estimated) Volatilization from Water: Henry LC: 2.97E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.722E+005 hours (1.551E+004 days) Half-Life from Model Lake : 4.06E+006 hours (1.692E+005 days) Removal In Wastewater Treatment: Total removal: 89.21 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.46 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 0.0101 1.76 1000 Water 4.19 1.44e+003 1000 Soil 54.1 2.88e+003 1000 Sediment 41.7 1.3e+004 0 Persistence Time: 3.79e+003 hr
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