Try beta.chemspider
1,3,5-Tris(2-methoxy-2-propanyl)benzene
CC(C)(c1cc(cc(c1)C(C)(C)OC)C(C)(C)OC)OC
InChI=1S/C18H30O3/c1-16(2,19-7)13-10-14(17(3,4)20-8)12-15(11-13)18(5,6)21-9/h10-12H,1-9H3
WYHLXOAGBKDFGJ-UHFFFAOYSA-N
CSID:10820560, http://www.chemspider.com/Chemical-Structure.10820560.html (accessed 05:44, Jun 5, 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) = 3.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 325.99 (Adapted Stein & Brown method) Melting Pt (deg C): 99.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.18E-005 (Modified Grain method) Subcooled liquid VP: 0.000486 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): 5.581 log Kow used: 3.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 195.46 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.36E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.373E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.95 (KowWin est) Log Kaw used: -5.585 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.535 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9865 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8861 (months ) Biowin4 (Primary Survey Model) : 2.9334 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0718 Biowin6 (MITI Non-Linear Model): 0.0103 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.9408 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): 0.0648 Pa (0.000486 mm Hg) Log Koa (Koawin est ): 9.535 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.63E-005 Octanol/air (Koa) model: 0.000841 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00167 Mackay model : 0.00369 Octanol/air (Koa) model: 0.0631 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.1955 E-12 cm3/molecule-sec Half-Life = 0.408 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.900 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00268 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 75.95 Log Koc: 1.881 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 = 2.343 (BCF = 220.2) log Kow used: 3.95 (estimated) Volatilization from Water: Henry LC: 6.36E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.58E+004 hours (658.3 days) Half-Life from Model Lake : 1.725E+005 hours (7187 days) Removal In Wastewater Treatment: Total removal: 27.84 percent Total biodegradation: 0.30 percent Total sludge adsorption: 27.53 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 0.132 9.8 1000 Water 11.2 1.44e+003 1000 Soil 85.6 2.88e+003 1000 Sediment 2.98 1.3e+004 0 Persistence Time: 2.08e+003 hr
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