Try beta.chemspider
1,1'-[Oxybis(2,1-ethanediyloxy)]bis(2,4,6-trimethylbenzene)
Cc1cc(c(c(c1)C)OCCOCCOc2c(cc(cc2C)C)C)C
InChI=1S/C22H30O3/c1-15-11-17(3)21(18(4)12-15)24-9-7-23-8-10-25-22-19(5)13-16(2)14-20(22)6/h11-14H,7-10H2,1-6H3
YAOVUGILNTYKDM-UHFFFAOYSA-N
CSID:3360053, http://www.chemspider.com/Chemical-Structure.3360053.html (accessed 12:58, Apr 24, 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) = 6.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 422.82 (Adapted Stein & Brown method) Melting Pt (deg C): 158.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.91E-008 (Modified Grain method) Subcooled liquid VP: 2.3E-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): 0.01039 log Kow used: 6.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0051952 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.14E-008 atm-m3/mole Group Method: 2.62E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.298E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.82 (KowWin est) Log Kaw used: -5.677 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.497 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8290 Biowin2 (Non-Linear Model) : 0.9356 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8683 (months ) Biowin4 (Primary Survey Model) : 3.0869 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5645 Biowin6 (MITI Non-Linear Model): 0.3140 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5735 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): 0.000307 Pa (2.3E-006 mm Hg) Log Koa (Koawin est ): 12.497 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00978 Octanol/air (Koa) model: 0.771 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.261 Mackay model : 0.439 Octanol/air (Koa) model: 0.984 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 88.8636 E-12 cm3/molecule-sec Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.444 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.35 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.453E+004 Log Koc: 4.390 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 = 4.548 (BCF = 3.533e+004) log Kow used: 6.82 (estimated) Volatilization from Water: Henry LC: 2.62E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4137 hours (172.4 days) Half-Life from Model Lake : 4.529E+004 hours (1887 days) Removal In Wastewater Treatment: Total removal: 93.75 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.97 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 0.0273 2.89 1000 Water 1.65 1.44e+003 1000 Soil 31.9 2.88e+003 1000 Sediment 66.5 1.3e+004 0 Persistence Time: 4.58e+003 hr
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