2-Methyl-2-propanyl formate
CC(C)(C)OC=O
InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3
RUPAXCPQAAOIPB-UHFFFAOYSA-N
CSID:55151, http://www.chemspider.com/Chemical-Structure.55151.html (accessed 07:19, Apr 19, 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) = 1.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 80.23 (Adapted Stein & Brown method) Melting Pt (deg C): -66.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 78.6 (Mean VP of Antoine & Grain methods) BP (exp database): 82.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.115e+004 log Kow used: 1.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 19632 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.62E-004 atm-m3/mole Group Method: 5.87E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.473E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.19 (KowWin est) Log Kaw used: -1.639 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.829 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6892 Biowin2 (Non-Linear Model) : 0.9804 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9016 (weeks ) Biowin4 (Primary Survey Model) : 3.7759 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8209 Biowin6 (MITI Non-Linear Model): 0.9228 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4350 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): 1.01E+004 Pa (75.9 mm Hg) Log Koa (Koawin est ): 2.829 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.96E-010 Octanol/air (Koa) model: 1.66E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.07E-008 Mackay model : 2.37E-008 Octanol/air (Koa) model: 1.32E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.5018 E-12 cm3/molecule-sec Half-Life = 21.314 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.72E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.751 Log Koc: 0.942 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.656E+000 L/mol-sec Kb Half-Life at pH 8: 1.418 days Kb Half-Life at pH 7: 14.183 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.215 (BCF = 1.64) log Kow used: 1.19 (estimated) Volatilization from Water: Henry LC: 0.000587 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.039 hours Half-Life from Model Lake : 107 hours (4.458 days) Removal In Wastewater Treatment: Total removal: 21.89 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.50 percent Total to Air: 20.31 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 32.1 348 1000 Water 41.8 360 1000 Soil 26 720 1000 Sediment 0.0878 3.24e+003 0 Persistence Time: 188 hr
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