Try beta.chemspider
5-Methyl-2,3-dihydrofuran
CC1=CCCO1
InChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3
BGCWDXXJMUHZHE-UHFFFAOYSA-N
CSID:14416, http://www.chemspider.com/Chemical-Structure.14416.html (accessed 02:42, Apr 24, 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) = 1.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 95.16 (Adapted Stein & Brown method) Melting Pt (deg C): -65.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 52.6 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.059e+004 log Kow used: 1.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 54521 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.21E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.498E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.27 (KowWin est) Log Kaw used: -0.595 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.865 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3601 Biowin2 (Non-Linear Model) : 0.1659 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0046 (weeks ) Biowin4 (Primary Survey Model) : 3.7166 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5094 Biowin6 (MITI Non-Linear Model): 0.6251 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1857 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): 6.71E+003 Pa (50.3 mm Hg) Log Koa (Koawin est ): 1.865 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.47E-010 Octanol/air (Koa) model: 1.8E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.62E-008 Mackay model : 3.58E-008 Octanol/air (Koa) model: 1.44E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 119.6832 E-12 cm3/molecule-sec Half-Life = 0.089 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.072 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 36.968746 E-17 cm3/molecule-sec Half-Life = 0.031 Days (at 7E11 mol/cm3) Half-Life = 44.639 Min Fraction sorbed to airborne particulates (phi): 2.6E-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 = 0.277 (BCF = 1.893) log Kow used: 1.27 (estimated) Volatilization from Water: Henry LC: 0.00621 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.022 hours Half-Life from Model Lake : 88.06 hours (3.669 days) Removal In Wastewater Treatment: Total removal: 71.16 percent Total biodegradation: 0.04 percent Total sludge adsorption: 0.74 percent Total to Air: 70.37 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.904 0.552 1000 Water 89.3 360 1000 Soil 9.63 720 1000 Sediment 0.192 3.24e+003 0 Persistence Time: 70.7 hr
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