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2,6-Dimethyl-7-octyl-1,2,3,4-tetrahydronaphthalene
CCCCCCCCc1cc2c(cc1C)CCC(C2)C
InChI=1S/C20H32/c1-4-5-6-7-8-9-10-18-15-20-13-16(2)11-12-19(20)14-17(18)3/h14-16H,4-13H2,1-3H3
QXCGTKPQXLLOQZ-UHFFFAOYSA-N
CSID:521420, http://www.chemspider.com/Chemical-Structure.521420.html (accessed 06:42, Apr 26, 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) = 8.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 351.97 (Adapted Stein & Brown method) Melting Pt (deg C): 106.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.9E-005 (Modified Grain method) Subcooled liquid VP: 0.000119 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): 0.0004374 log Kow used: 8.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00040647 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.99E-002 atm-m3/mole Group Method: 4.06E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.557E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.91 (KowWin est) Log Kaw used: 0.389 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.521 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9449 Biowin2 (Non-Linear Model) : 0.9641 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5960 (weeks-months) Biowin4 (Primary Survey Model) : 3.4496 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1218 Biowin6 (MITI Non-Linear Model): 0.0799 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4934 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.4391 BioHC Half-Life (days) : 2.7484 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0159 Pa (0.000119 mm Hg) Log Koa (Koawin est ): 8.521 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000189 Octanol/air (Koa) model: 8.15E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00678 Mackay model : 0.0149 Octanol/air (Koa) model: 0.00648 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.2533 E-12 cm3/molecule-sec Half-Life = 0.303 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.641 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0108 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.061E+005 Log Koc: 5.783 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 = 0.697 (BCF = 4.977) log Kow used: 8.91 (estimated) Volatilization from Water: Henry LC: 0.0406 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.708 hours Half-Life from Model Lake : 157 hours (6.544 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.22 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.102 7.28 1000 Water 1.9 900 1000 Soil 28 1.8e+003 1000 Sediment 70 8.1e+003 0 Persistence Time: 3.1e+003 hr
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