1-[2-(2-Butoxyethoxy)ethoxy]butane
CCCCOCCOCCOCCCC
InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3
KZVBBTZJMSWGTK-UHFFFAOYSA-N
CSID:13881964, http://www.chemspider.com/Chemical-Structure.13881964.html (accessed 01:12, Apr 20, 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) = 2.46 Log Kow (Exper. database match) = 1.92 Exper. Ref: Funasaki,N et al. (1984) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 262.56 (Adapted Stein & Brown method) Melting Pt (deg C): 29.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0325 (Mean VP of Antoine & Grain methods) MP (exp database): -60 deg C BP (exp database): 256 deg C VP (exp database): 2.61E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 805.3 log Kow used: 1.92 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 3000 mg/L (20 deg C) Exper. Ref: EPA Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2508.4 mg/L Wat Sol (Exper. database match) = 3000.00 Exper. Ref: EPA ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.14E-006 atm-m3/mole Group Method: 1.65E-008 atm-m3/mole Exper Database: 2.50E-06 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.159E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.92 (exp database) Log Kaw used: -3.991 (exp database) Log Koa (KOAWIN v1.10 estimate): 5.911 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1816 Biowin2 (Non-Linear Model) : 0.0012 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2873 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0416 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5620 Biowin6 (MITI Non-Linear Model): 0.5584 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4704 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): 3.48 Pa (0.0261 mm Hg) Log Koa (Koawin est ): 5.911 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.62E-007 Octanol/air (Koa) model: 2E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.11E-005 Mackay model : 6.9E-005 Octanol/air (Koa) model: 1.6E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 52.7207 E-12 cm3/molecule-sec Half-Life = 0.203 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.435 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5E-005 (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 = 0.778 (BCF = 6.003) log Kow used: 1.92 (expkow database) Volatilization from Water: Henry LC: 2.5E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 347.6 hours (14.48 days) Half-Life from Model Lake : 3915 hours (163.1 days) Removal In Wastewater Treatment: Total removal: 2.32 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.08 percent Total to Air: 0.14 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.858 4.87 1000 Water 32.8 208 1000 Soil 66.2 416 1000 Sediment 0.0973 1.87e+003 0 Persistence Time: 261 hr
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