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2-Methyl-2-({2-[(2-methyl-2-propanyl)peroxy]-2-propanyl}peroxy)propane
CC(C)(C)OOC(C)(C)OOC(C)(C)C
InChI=1S/C11H24O4/c1-9(2,3)12-14-11(7,8)15-13-10(4,5)6/h1-8H3
QSFTWOJPCWPORR-UHFFFAOYSA-N
CSID:70337, http://www.chemspider.com/Chemical-Structure.70337.html (accessed 06:08, Apr 30, 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) = 4.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 208.80 (Adapted Stein & Brown method) Melting Pt (deg C): 22.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.34 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.177 log Kow used: 4.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.5425 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Peroxy Acids Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.24E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.527E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.91 (KowWin est) Log Kaw used: -1.593 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.503 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0909 Biowin2 (Non-Linear Model) : 0.0050 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0760 (months ) Biowin4 (Primary Survey Model) : 3.0696 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2629 Biowin6 (MITI Non-Linear Model): 0.0771 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8032 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): 41.9 Pa (0.314 mm Hg) Log Koa (Koawin est ): 6.503 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.17E-008 Octanol/air (Koa) model: 7.82E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.59E-006 Mackay model : 5.73E-006 Octanol/air (Koa) model: 6.25E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.3382 E-12 cm3/molecule-sec Half-Life = 7.993 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 95.911 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.16E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.082E+004 Log Koc: 4.034 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 = 3.084 (BCF = 1215) log Kow used: 4.91 (estimated) Volatilization from Water: Henry LC: 0.000624 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.907 hours Half-Life from Model Lake : 156.2 hours (6.507 days) Removal In Wastewater Treatment: Total removal: 76.96 percent Total biodegradation: 0.61 percent Total sludge adsorption: 71.32 percent Total to Air: 5.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.1 192 1000 Water 5.73 1.44e+003 1000 Soil 77.8 2.88e+003 1000 Sediment 14.3 1.3e+004 0 Persistence Time: 1.76e+003 hr
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