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2-Butyloxirene
CCCC\C1=C\O1
InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h5H,2-4H2,1H3
GRTWZACANJOGHU-UHFFFAOYSA-N
Date of deprecation: 11:53, May 7, 2024 Reason for deprecation: Deprecate record:
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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) = 2.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 114.63 (Adapted Stein & Brown method) Melting Pt (deg C): -50.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 23.6 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 625.1 log Kow used: 2.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7147.5 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 : 5.54E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.876E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.67 (KowWin est) Log Kaw used: 0.355 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.315 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4619 Biowin2 (Non-Linear Model) : 0.5073 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2720 (days-weeks ) Biowin4 (Primary Survey Model) : 3.9655 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5765 Biowin6 (MITI Non-Linear Model): 0.7154 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1860 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): 2.96E+003 Pa (22.2 mm Hg) Log Koa (Koawin est ): 2.315 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.01E-009 Octanol/air (Koa) model: 5.07E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.66E-008 Mackay model : 8.11E-008 Octanol/air (Koa) model: 4.06E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 90.7780 E-12 cm3/molecule-sec Half-Life = 0.118 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.414 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 5.88E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 15.28 Log Koc: 1.184 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 = 1.353 (BCF = 22.57) log Kow used: 2.67 (estimated) Volatilization from Water: Henry LC: 0.0554 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.021 hours Half-Life from Model Lake : 94.21 hours (3.926 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.58 percent Total biodegradation: 0.02 percent Total sludge adsorption: 1.43 percent Total to Air: 94.12 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.58 2.53 1000 Water 82.1 208 1000 Soil 12.7 416 1000 Sediment 0.619 1.87e+003 0 Persistence Time: 59.6 hr
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