Try beta.chemspider
1-(2,2-Dimethoxyethoxy)hexane
CCCCCCOCC(OC)OC
InChI=1S/C10H22O3/c1-4-5-6-7-8-13-9-10(11-2)12-3/h10H,4-9H2,1-3H3
LIVMHHPZBYEKCU-UHFFFAOYSA-N
CSID:78631, http://www.chemspider.com/Chemical-Structure.78631.html (accessed 16:37, 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) = 1.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 215.68 (Adapted Stein & Brown method) Melting Pt (deg C): -3.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.243 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1139 log Kow used: 1.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7805.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.24E-006 atm-m3/mole Group Method: 4.66E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.342E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.91 (KowWin est) Log Kaw used: -3.878 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.788 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2767 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0510 (weeks ) Biowin4 (Primary Survey Model) : 3.8131 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3975 Biowin6 (MITI Non-Linear Model): 0.3200 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5020 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): 30.1 Pa (0.226 mm Hg) Log Koa (Koawin est ): 5.788 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.96E-008 Octanol/air (Koa) model: 1.51E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.6E-006 Mackay model : 7.96E-006 Octanol/air (Koa) model: 1.21E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.5714 E-12 cm3/molecule-sec Half-Life = 0.328 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.941 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.78E-006 (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 = 0.773 (BCF = 5.926) log Kow used: 1.91 (estimated) Volatilization from Water: Henry LC: 3.24E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 250.7 hours (10.45 days) Half-Life from Model Lake : 2850 hours (118.8 days) Removal In Wastewater Treatment: Total removal: 2.35 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.07 percent Total to Air: 0.18 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.872 7.88 1000 Water 32.9 360 1000 Soil 66.1 720 1000 Sediment 0.106 3.24e+003 0 Persistence Time: 408 hr
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