Try beta.chemspider
1,1,8,8-Tetramethoxyoctane
COC(CCCCCCC(OC)OC)OC
InChI=1S/C12H26O4/c1-13-11(14-2)9-7-5-6-8-10-12(15-3)16-4/h11-12H,5-10H2,1-4H3
TXGHOSDIGLWWFE-UHFFFAOYSA-N
CSID:217788, http://www.chemspider.com/Chemical-Structure.217788.html (accessed 05:12, Jun 1, 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) = 2.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 259.74 (Adapted Stein & Brown method) Melting Pt (deg C): 24.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0268 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 493.7 log Kow used: 2.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4592.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.04E-008 atm-m3/mole Group Method: 5.60E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.674E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.07 (KowWin est) Log Kaw used: -5.686 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.756 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.7535 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6466 (weeks-months) Biowin4 (Primary Survey Model) : 3.4707 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2177 Biowin6 (MITI Non-Linear Model): 0.0986 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6870 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): 3.57 Pa (0.0268 mm Hg) Log Koa (Koawin est ): 7.756 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.4E-007 Octanol/air (Koa) model: 1.4E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.03E-005 Mackay model : 6.72E-005 Octanol/air (Koa) model: 0.00112 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.2637 E-12 cm3/molecule-sec Half-Life = 0.366 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.386 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.87E-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 = 0.893 (BCF = 7.81) log Kow used: 2.07 (estimated) Volatilization from Water: Henry LC: 5.04E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.778E+004 hours (741 days) Half-Life from Model Lake : 1.941E+005 hours (8089 days) Removal In Wastewater Treatment: Total removal: 2.32 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.22 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 0.235 8.77 1000 Water 25.8 900 1000 Soil 73.9 1.8e+003 1000 Sediment 0.108 8.1e+003 0 Persistence Time: 1.05e+003 hr
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