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Bis(2-methyl-2-propanyl) phthalate
CC(C)(C)OC(=O)c1ccccc1C(=O)OC(C)(C)C
InChI=1S/C16H22O4/c1-15(2,3)19-13(17)11-9-7-8-10-12(11)14(18)20-16(4,5)6/h7-10H,1-6H3
RYCNBIYTZSGSPI-UHFFFAOYSA-N
CSID:108599, http://www.chemspider.com/Chemical-Structure.108599.html (accessed 14:32, Aug 1, 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) = 4.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 311.84 (Adapted Stein & Brown method) Melting Pt (deg C): 7.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00104 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.931 log Kow used: 4.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 38.84 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.22E-006 atm-m3/mole Group Method: 5.11E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.300E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.39 (KowWin est) Log Kaw used: -4.302 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.692 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5955 Biowin2 (Non-Linear Model) : 0.9774 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4402 (weeks-months) Biowin4 (Primary Survey Model) : 3.5972 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7421 Biowin6 (MITI Non-Linear Model): 0.6851 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3478 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): 0.139 Pa (0.00104 mm Hg) Log Koa (Koawin est ): 8.692 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.16E-005 Octanol/air (Koa) model: 0.000121 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000781 Mackay model : 0.00173 Octanol/air (Koa) model: 0.00957 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.7529 E-12 cm3/molecule-sec Half-Life = 6.102 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 73.223 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00125 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 614.2 Log Koc: 2.788 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.881E-002 L/mol-sec Kb Half-Life at pH 8: 278.453 days Kb Half-Life at pH 7: 7.624 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.679 (BCF = 477.1) log Kow used: 4.39 (estimated) Volatilization from Water: Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1913 hours (79.72 days) Half-Life from Model Lake : 2.101E+004 hours (875.5 days) Removal In Wastewater Treatment: Total removal: 50.15 percent Total biodegradation: 0.48 percent Total sludge adsorption: 49.66 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.18 146 1000 Water 13.8 900 1000 Soil 76.9 1.8e+003 1000 Sediment 8.06 8.1e+003 0 Persistence Time: 1.38e+003 hr
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