2-Methyltetrahydrofuran
CC1CCCO1
InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3
JWUJQDFVADABEY-UHFFFAOYSA-N
CSID:7028, http://www.chemspider.com/Chemical-Structure.7028.html (accessed 23:42, Apr 18, 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) = 1.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 86.99 (Adapted Stein & Brown method) Melting Pt (deg C): -76.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 104 (Mean VP of Antoine & Grain methods) BP (exp database): 78 deg C VP (exp database): 9.73E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8861 log Kow used: 1.35 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1.39e+005 mg/L (25 deg C) Exper. Ref: RIDDICK,JA ET AL. (1986) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 41371 mg/L Wat Sol (Exper. database match) = 139000.00 Exper. Ref: RIDDICK,JA ET AL. (1986) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.12E-004 atm-m3/mole Group Method: 2.45E-004 atm-m3/mole Exper Database: 9.30E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.330E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.35 (KowWin est) Log Kaw used: -2.420 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.770 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3592 Biowin2 (Non-Linear Model) : 0.1619 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0002 (weeks ) Biowin4 (Primary Survey Model) : 3.7137 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5294 Biowin6 (MITI Non-Linear Model): 0.6298 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1787 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): 1.3E+004 Pa (97.3 mm Hg) Log Koa (Koawin est ): 3.770 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.31E-010 Octanol/air (Koa) model: 1.45E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.35E-009 Mackay model : 1.85E-008 Octanol/air (Koa) model: 1.16E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.4457 E-12 cm3/molecule-sec Half-Life = 0.613 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.357 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.34E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.906 Log Koc: 0.898 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 = 0.343 (BCF = 2.202) log Kow used: 1.35 (estimated) Volatilization from Water: Henry LC: 9.3E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 6.79 hours Half-Life from Model Lake : 151.9 hours (6.329 days) Removal In Wastewater Treatment: Total removal: 6.44 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 percent Total to Air: 4.58 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.85 11.7 1000 Water 42 360 1000 Soil 55 720 1000 Sediment 0.0932 3.24e+003 0 Persistence Time: 268 hr
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