2-Methyl-2-propoxypropane
CCCOC(C)(C)C
InChI=1S/C7H16O/c1-5-6-8-7(2,3)4/h5-6H2,1-4H3
FITVQUMLGWRKKG-UHFFFAOYSA-N
CSID:453938, http://www.chemspider.com/Chemical-Structure.453938.html (accessed 03:27, Mar 28, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 97.11 (Adapted Stein & Brown method) Melting Pt (deg C): -68.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 48.6 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 903.5 log Kow used: 2.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4493.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.55E-003 atm-m3/mole Group Method: 2.74E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.225E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.41 (KowWin est) Log Kaw used: -0.838 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.248 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1609 Biowin2 (Non-Linear Model) : 0.0220 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7216 (weeks-months) Biowin4 (Primary Survey Model) : 3.5169 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5360 Biowin6 (MITI Non-Linear Model): 0.5986 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0217 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): 6.19E+003 Pa (46.4 mm Hg) Log Koa (Koawin est ): 3.248 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.85E-010 Octanol/air (Koa) model: 4.35E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.75E-008 Mackay model : 3.88E-008 Octanol/air (Koa) model: 3.48E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.8721 E-12 cm3/molecule-sec Half-Life = 0.901 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.811 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.82E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 17.89 Log Koc: 1.253 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 = 1.157 (BCF = 14.35) log Kow used: 2.41 (estimated) Volatilization from Water: Henry LC: 0.00274 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.33 hours Half-Life from Model Lake : 104.9 hours (4.371 days) Removal In Wastewater Treatment: Total removal: 53.19 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.77 percent Total to Air: 51.37 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 10.9 21.6 1000 Water 46.6 900 1000 Soil 42.1 1.8e+003 1000 Sediment 0.326 8.1e+003 0 Persistence Time: 180 hr
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