4a,8-Dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CC1=C2CCCCC2(CCC1)C
InChI=1S/C12H20/c1-10-6-5-9-12(2)8-4-3-7-11(10)12/h3-9H2,1-2H3
FLHPWJRCDFBGBC-UHFFFAOYSA-N
CSID:244895, http://www.chemspider.com/Chemical-Structure.244895.html (accessed 13:59, Mar 29, 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) = 5.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 214.05 (Adapted Stein & Brown method) Melting Pt (deg C): 19.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.264 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.8185 log Kow used: 5.11 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.2257 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.23E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.972E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.11 (KowWin est) Log Kaw used: 0.960 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.150 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4854 Biowin2 (Non-Linear Model) : 0.2597 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6240 (weeks-months) Biowin4 (Primary Survey Model) : 3.4573 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4299 Biowin6 (MITI Non-Linear Model): 0.4691 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4974 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.1736 BioHC Half-Life (days) : 149.1370 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 32.7 Pa (0.245 mm Hg) Log Koa (Koawin est ): 4.150 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.18E-008 Octanol/air (Koa) model: 3.47E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.32E-006 Mackay model : 7.35E-006 Octanol/air (Koa) model: 2.77E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 119.6662 E-12 cm3/molecule-sec Half-Life = 0.089 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.073 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 48.059372 E-17 cm3/molecule-sec Half-Life = 0.024 Days (at 7E11 mol/cm3) Half-Life = 34.337 Min Fraction sorbed to airborne particulates (phi): 5.33E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4640 Log Koc: 3.666 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 = 3.236 (BCF = 1723) log Kow used: 5.11 (estimated) Volatilization from Water: Henry LC: 0.223 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.311 hours Half-Life from Model Lake : 121.8 hours (5.074 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.21 percent Total biodegradation: 0.17 percent Total sludge adsorption: 51.35 percent Total to Air: 47.69 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0783 0.452 1000 Water 12.7 900 1000 Soil 50.4 1.8e+003 1000 Sediment 36.8 8.1e+003 0 Persistence Time: 600 hr
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