1,4-Bis(2-methyl-2-propanyl)benzene
CC(C)(C)c1ccc(cc1)C(C)(C)C
InChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3
OOWNNCMFKFBNOF-UHFFFAOYSA-N
CSID:13293, http://www.chemspider.com/Chemical-Structure.13293.html (accessed 00:08, Apr 20, 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) = 5.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 229.63 (Adapted Stein & Brown method) Melting Pt (deg C): 19.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0149 (Modified Grain method) MP (exp database): 79.5 deg C BP (exp database): 238 deg C Subcooled liquid VP: 0.0491 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.5327 log Kow used: 5.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0545 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.59E-002 atm-m3/mole Group Method: 2.56E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.005E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.81 (KowWin est) Log Kaw used: 0.167 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.643 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2891 Biowin2 (Non-Linear Model) : 0.0415 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3543 (weeks-months) Biowin4 (Primary Survey Model) : 3.2663 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3165 Biowin6 (MITI Non-Linear Model): 0.1717 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6915 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.3415 BioHC Half-Life (days) : 21.9547 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.55 Pa (0.0491 mm Hg) Log Koa (Koawin est ): 5.643 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.58E-007 Octanol/air (Koa) model: 1.08E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.66E-005 Mackay model : 3.67E-005 Octanol/air (Koa) model: 8.63E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.1572 E-12 cm3/molecule-sec Half-Life = 1.737 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 20.846 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.66E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8426 Log Koc: 3.926 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 = 3.775 (BCF = 5960) log Kow used: 5.81 (estimated) Volatilization from Water: Henry LC: 0.0256 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.439 hours Half-Life from Model Lake : 131.4 hours (5.474 days) Removal In Wastewater Treatment: Total removal: 94.75 percent Total biodegradation: 0.52 percent Total sludge adsorption: 77.04 percent Total to Air: 17.18 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.03 41.7 1000 Water 4.18 900 1000 Soil 48.6 1.8e+003 1000 Sediment 46.2 8.1e+003 0 Persistence Time: 1.71e+003 hr
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