Try beta.chemspider
2,2'-Bis(methoxymethoxy)-3-methyl-1,1'-binaphthalene
Cc1cc2ccccc2c(c1OCOC)c3c4ccccc4ccc3OCOC
InChI=1S/C25H24O4/c1-17-14-19-9-5-7-11-21(19)24(25(17)29-16-27-3)23-20-10-6-4-8-18(20)12-13-22(23)28-15-26-2/h4-14H,15-16H2,1-3H3
AKVXMDYTJRKDHV-UHFFFAOYSA-N
CSID:17278764, http://www.chemspider.com/Chemical-Structure.17278764.html (accessed 02:03, Jul 4, 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) = 6.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 532.75 (Adapted Stein & Brown method) Melting Pt (deg C): 227.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.68E-011 (Modified Grain method) Subcooled liquid VP: 4.03E-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): 0.00118 log Kow used: 6.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0005019 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.09E-012 atm-m3/mole Group Method: 2.39E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.161E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.29 (KowWin est) Log Kaw used: -10.068 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.358 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1864 Biowin2 (Non-Linear Model) : 0.0135 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1323 (months ) Biowin4 (Primary Survey Model) : 3.3535 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1814 Biowin6 (MITI Non-Linear Model): 0.0234 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8511 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): 5.37E-007 Pa (4.03E-009 mm Hg) Log Koa (Koawin est ): 16.358 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.58 Octanol/air (Koa) model: 5.6E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.995 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 208.6321 E-12 cm3/molecule-sec Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.615 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.402E+004 Log Koc: 4.381 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 = 4.147 (BCF = 1.402e+004) log Kow used: 6.29 (estimated) Volatilization from Water: Henry LC: 2.39E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4830 hours (201.3 days) Half-Life from Model Lake : 5.286E+004 hours (2202 days) Removal In Wastewater Treatment: Total removal: 93.06 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.29 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 0.0132 1.23 1000 Water 2.26 1.44e+003 1000 Soil 34.5 2.88e+003 1000 Sediment 63.2 1.3e+004 0 Persistence Time: 4.19e+003 hr
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