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1,3-Dibutoxy-2-propanol
CCCCOCC(COCCCC)O
InChI=1S/C11H24O3/c1-3-5-7-13-9-11(12)10-14-8-6-4-2/h11-12H,3-10H2,1-2H3
ABSDZQDZDHJMPX-UHFFFAOYSA-N
CSID:15806, http://www.chemspider.com/Chemical-Structure.15806.html (accessed 20:25, Apr 26, 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) = 1.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 275.41 (Adapted Stein & Brown method) Melting Pt (deg C): 39.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000482 (Modified Grain method) Subcooled liquid VP: 0.000645 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): 4830 log Kow used: 1.69 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 17488 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.56E-009 atm-m3/mole Group Method: 2.08E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.683E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.69 (KowWin est) Log Kaw used: -6.837 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.527 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3311 Biowin2 (Non-Linear Model) : 0.1250 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4870 (days-weeks ) Biowin4 (Primary Survey Model) : 4.2011 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6139 Biowin6 (MITI Non-Linear Model): 0.6883 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2982 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.086 Pa (0.000645 mm Hg) Log Koa (Koawin est ): 8.527 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.49E-005 Octanol/air (Koa) model: 8.26E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00126 Mackay model : 0.00278 Octanol/air (Koa) model: 0.00656 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.8562 E-12 cm3/molecule-sec Half-Life = 0.244 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.927 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00202 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = 0.603 (BCF = 4.007) log Kow used: 1.69 (estimated) Volatilization from Water: Henry LC: 2.08E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.023E+006 hours (1.676E+005 days) Half-Life from Model Lake : 4.389E+007 hours (1.829E+006 days) Removal In Wastewater Treatment: Total removal: 2.04 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.95 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 0.0066 5.85 1000 Water 25.4 208 1000 Soil 74.6 416 1000 Sediment 0.0627 1.87e+003 0 Persistence Time: 426 hr
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