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1,1'-[2,2-Bis(methoxymethyl)-1,3-propanediyl]dibenzene
COCC(Cc1ccccc1)(Cc2ccccc2)COC
InChI=1S/C19H24O2/c1-20-15-19(16-21-2,13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
URYLLQVLNOEEBA-UHFFFAOYSA-N
CSID:4411079, http://www.chemspider.com/Chemical-Structure.4411079.html (accessed 03:00, Jun 7, 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) = 4.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 364.39 (Adapted Stein & Brown method) Melting Pt (deg C): 114.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.79E-006 (Modified Grain method) Subcooled liquid VP: 6E-005 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): 1.89 log Kow used: 4.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.7914 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.04E-007 atm-m3/mole Group Method: 1.58E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.542E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.57 (KowWin est) Log Kaw used: -5.079 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.649 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0990 Biowin2 (Non-Linear Model) : 0.0077 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2355 (months ) Biowin4 (Primary Survey Model) : 3.1372 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0070 Biowin6 (MITI Non-Linear Model): 0.0253 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8813 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): 0.008 Pa (6E-005 mm Hg) Log Koa (Koawin est ): 9.649 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000375 Octanol/air (Koa) model: 0.00109 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0134 Mackay model : 0.0291 Octanol/air (Koa) model: 0.0805 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.6626 E-12 cm3/molecule-sec Half-Life = 0.387 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.640 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0212 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3629 Log Koc: 3.560 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 = 2.819 (BCF = 659.5) log Kow used: 4.57 (estimated) Volatilization from Water: Henry LC: 1.58E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.249E+005 hours (2.604E+004 days) Half-Life from Model Lake : 6.817E+006 hours (2.841E+005 days) Removal In Wastewater Treatment: Total removal: 59.66 percent Total biodegradation: 0.55 percent Total sludge adsorption: 59.11 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 0.00674 9.28 1000 Water 7.64 1.44e+003 1000 Soil 83.5 2.88e+003 1000 Sediment 8.87 1.3e+004 0 Persistence Time: 3.06e+003 hr
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