2-Methyl-1,3-dioxolane
CC1OCCO1
InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
HTWIZMNMTWYQRN-UHFFFAOYSA-N
CSID:9918, http://www.chemspider.com/Chemical-Structure.9918.html (accessed 23:47, Apr 16, 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) = 0.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 93.58 (Adapted Stein & Brown method) Melting Pt (deg C): -66.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 91 (Mean VP of Antoine & Grain methods) BP (exp database): 81.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.012e+005 log Kow used: 0.11 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 6.67e+005 mg/L ( deg C) Exper. Ref: BEILSTEIN Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.0647e+005 mg/L Wat Sol (Exper. database match) = 667000.00 Exper. Ref: BEILSTEIN ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.96E-005 atm-m3/mole Group Method: 5.73E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.042E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.11 (KowWin est) Log Kaw used: -2.917 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.027 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0109 Biowin2 (Non-Linear Model) : 0.0061 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9871 (weeks ) Biowin4 (Primary Survey Model) : 3.7011 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5053 Biowin6 (MITI Non-Linear Model): 0.5327 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0414 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): 1.17E+004 Pa (88.1 mm Hg) Log Koa (Koawin est ): 3.027 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.55E-010 Octanol/air (Koa) model: 2.61E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.22E-009 Mackay model : 2.04E-008 Octanol/air (Koa) model: 2.09E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.6815 E-12 cm3/molecule-sec Half-Life = 0.782 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.381 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.48E-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 = 0.500 (BCF = 3.162) log Kow used: 0.11 (estimated) Volatilization from Water: Henry LC: 2.96E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 19.52 hours Half-Life from Model Lake : 291.7 hours (12.15 days) Removal In Wastewater Treatment: Total removal: 3.42 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.74 percent Total to Air: 1.60 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.18 27.3 1000 Water 47.4 360 1000 Soil 48.3 720 1000 Sediment 0.0878 3.24e+003 0 Persistence Time: 300 hr
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