1,1,1-Trimethoxyethane
CC(OC)(OC)OC
InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3
HDPNBNXLBDFELL-UHFFFAOYSA-N
CSID:14322, http://www.chemspider.com/Chemical-Structure.14322.html (accessed 11:21, Oct 3, 2023)
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) = 1.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 98.98 (Adapted Stein & Brown method) Melting Pt (deg C): -56.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 31.1 (Mean VP of Antoine & Grain methods) BP (exp database): 108 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.083e+004 log Kow used: 1.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 37956 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.86E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.540E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.13 (KowWin est) Log Kaw used: -4.493 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.623 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.5357 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6955 (weeks-months) Biowin4 (Primary Survey Model) : 3.4917 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4284 Biowin6 (MITI Non-Linear Model): 0.3127 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5882 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): 3.92E+003 Pa (29.4 mm Hg) Log Koa (Koawin est ): 5.623 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.65E-010 Octanol/air (Koa) model: 1.03E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.76E-008 Mackay model : 6.12E-008 Octanol/air (Koa) model: 8.24E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.9648 E-12 cm3/molecule-sec Half-Life = 3.608 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 43.292 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.44E-008 (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 = 0.171 (BCF = 1.483) log Kow used: 1.13 (estimated) Volatilization from Water: Henry LC: 7.86E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 817.6 hours (34.07 days) Half-Life from Model Lake : 9011 hours (375.5 days) Removal In Wastewater Treatment: Total removal: 1.94 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.81 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.5 86.6 1000 Water 45.3 900 1000 Soil 52.1 1.8e+003 1000 Sediment 0.0987 8.1e+003 0 Persistence Time: 688 hr
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