Try beta.chemspider
2-(Methoxymethyl)furan
COCc1ccco1
InChI=1S/C6H8O2/c1-7-5-6-3-2-4-8-6/h2-4H,5H2,1H3
GANSPRKOWQQXPE-UHFFFAOYSA-N
CSID:55566, http://www.chemspider.com/Chemical-Structure.55566.html (accessed 07:40, 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) = 1.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 132.64 (Adapted Stein & Brown method) Melting Pt (deg C): -37.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.14 (Mean VP of Antoine & Grain methods) BP (exp database): 132 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.127e+004 log Kow used: 1.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 34235 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.94E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.197E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.14 (KowWin est) Log Kaw used: -2.547 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.687 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3468 Biowin2 (Non-Linear Model) : 0.1179 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9427 (weeks ) Biowin4 (Primary Survey Model) : 3.6762 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3494 Biowin6 (MITI Non-Linear Model): 0.3628 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2056 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): 1.13E+003 Pa (8.45 mm Hg) Log Koa (Koawin est ): 3.687 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.66E-009 Octanol/air (Koa) model: 1.19E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.62E-008 Mackay model : 2.13E-007 Octanol/air (Koa) model: 9.55E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 107.1634 E-12 cm3/molecule-sec Half-Life = 0.100 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.198 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1.55E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 28.18 Log Koc: 1.450 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 = 0.181 (BCF = 1.518) log Kow used: 1.14 (estimated) Volatilization from Water: Henry LC: 6.94E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 10.01 hours Half-Life from Model Lake : 198 hours (8.251 days) Removal In Wastewater Treatment: Total removal: 5.37 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 3.53 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.638 2.4 1000 Water 44.9 360 1000 Soil 54.4 720 1000 Sediment 0.0929 3.24e+003 0 Persistence Time: 267 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight