1-Butyl-4-methylbenzene
CCCCc1ccc(cc1)C
InChI=1S/C11H16/c1-3-4-5-11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3
SBBKUBSYOVDBBC-UHFFFAOYSA-N
CSID:14590, http://www.chemspider.com/Chemical-Structure.14590.html (accessed 18:25, Apr 16, 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) = 4.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 210.63 (Adapted Stein & Brown method) Melting Pt (deg C): -5.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.211 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 9.834 log Kow used: 4.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.5367 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.54E-002 atm-m3/mole Group Method: 1.90E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.185E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.56 (KowWin est) Log Kaw used: -0.201 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.761 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8947 Biowin2 (Non-Linear Model) : 0.9802 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0202 (weeks ) Biowin4 (Primary Survey Model) : 3.7659 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3890 Biowin6 (MITI Non-Linear Model): 0.4471 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3845 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.8240 BioHC Half-Life (days) : 6.6679 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 26 Pa (0.195 mm Hg) Log Koa (Koawin est ): 4.761 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.15E-007 Octanol/air (Koa) model: 1.42E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.17E-006 Mackay model : 9.23E-006 Octanol/air (Koa) model: 1.13E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.2155 E-12 cm3/molecule-sec Half-Life = 1.047 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.564 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.7E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2853 Log Koc: 3.455 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 = 2.812 (BCF = 648.5) log Kow used: 4.56 (estimated) Volatilization from Water: Henry LC: 0.019 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.28 hours Half-Life from Model Lake : 116.1 hours (4.836 days) Removal In Wastewater Treatment: Total removal: 92.01 percent Total biodegradation: 0.20 percent Total sludge adsorption: 39.90 percent Total to Air: 51.91 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.74 25.1 1000 Water 15.9 360 1000 Soil 73.4 720 1000 Sediment 6.95 3.24e+003 0 Persistence Time: 385 hr
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