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Butanoic anhydride
CCCC(=O)OC(=O)CCC
InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3
YHASWHZGWUONAO-UHFFFAOYSA-N
CSID:7510, http://www.chemspider.com/Chemical-Structure.7510.html (accessed 02:00, Apr 27, 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) = 1.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 148.37 (Adapted Stein & Brown method) Melting Pt (deg C): -44.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.361 (Mean VP of Antoine & Grain methods) MP (exp database): -75 deg C BP (exp database): 200 deg C VP (exp database): 2.83E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4561 log Kow used: 1.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6446.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.11E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.648E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.39 (KowWin est) Log Kaw used: -2.343 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.733 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6722 Biowin2 (Non-Linear Model) : 0.6818 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8496 (weeks ) Biowin4 (Primary Survey Model) : 3.6195 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4400 Biowin6 (MITI Non-Linear Model): 0.4293 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7809 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): 37.7 Pa (0.283 mm Hg) Log Koa (Koawin est ): 3.733 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.95E-008 Octanol/air (Koa) model: 1.33E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.87E-006 Mackay model : 6.36E-006 Octanol/air (Koa) model: 1.06E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.3445 E-12 cm3/molecule-sec Half-Life = 3.198 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 38.377 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.62E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.881E+003 L/mol-sec Kb Half-Life at pH 8: 1.679 minutes Kb Half-Life at pH 7: 16.789 minutes Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.368 (BCF = 2.333) log Kow used: 1.39 (estimated) Volatilization from Water: Henry LC: 0.000111 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.918 hours Half-Life from Model Lake : 191.8 hours (7.993 days) Removal In Wastewater Treatment: Total removal: 7.21 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 percent Total to Air: 5.35 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 10.1 76.8 1000 Water 39.2 360 1000 Soil 50.6 720 1000 Sediment 0.0884 3.24e+003 0 Persistence Time: 281 hr
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