3-Ethoxy-1-propanol
CCOCCCO
InChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3
XHMWPVBQGARKQM-UHFFFAOYSA-N
CSID:7818, http://www.chemspider.com/Chemical-Structure.7818.html (accessed 17:21, Apr 16, 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) = 0.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 159.94 (Adapted Stein & Brown method) Melting Pt (deg C): -32.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.028 (Modified Grain method) MP (exp database): 160.5 deg C Subcooled liquid VP: 0.688 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): 3.169e+005 log Kow used: 0.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.7138e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.38E-008 atm-m3/mole Group Method: 1.47E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.211E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.08 (KowWin est) Log Kaw used: -5.520 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.600 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5093 Biowin2 (Non-Linear Model) : 0.3139 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1203 (weeks ) Biowin4 (Primary Survey Model) : 3.8172 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7630 Biowin6 (MITI Non-Linear Model): 0.8960 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7360 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): 91.7 Pa (0.688 mm Hg) Log Koa (Koawin est ): 5.600 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.27E-008 Octanol/air (Koa) model: 9.77E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.18E-006 Mackay model : 2.62E-006 Octanol/air (Koa) model: 7.82E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.3629 E-12 cm3/molecule-sec Half-Life = 0.501 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.008 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.9E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 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 = 0.500 (BCF = 3.162) log Kow used: 0.08 (estimated) Volatilization from Water: Henry LC: 1.47E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.065E+004 hours (1694 days) Half-Life from Model Lake : 4.435E+005 hours (1.848E+004 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.279 11.7 1000 Water 40.1 360 1000 Soil 59.6 720 1000 Sediment 0.0741 3.24e+003 0 Persistence Time: 516 hr
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