Try beta.chemspider
4a,5,6-Trimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CC1CC=C2CCCCC2(C1C)C
InChI=1S/C13H22/c1-10-7-8-12-6-4-5-9-13(12,3)11(10)2/h8,10-11H,4-7,9H2,1-3H3
MMFIGNKPSCACPY-UHFFFAOYSA-N
CSID:240000, http://www.chemspider.com/Chemical-Structure.240000.html (accessed 00:52, Apr 25, 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) = 5.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 223.68 (Adapted Stein & Brown method) Melting Pt (deg C): 17.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.165 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.3987 log Kow used: 5.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.46387 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.50E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.710E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.40 (KowWin est) Log Kaw used: 1.009 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.391 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4787 Biowin2 (Non-Linear Model) : 0.2233 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5930 (weeks-months) Biowin4 (Primary Survey Model) : 3.4370 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3802 Biowin6 (MITI Non-Linear Model): 0.2292 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3316 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.9470 BioHC Half-Life (days) : 88.5034 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 20.5 Pa (0.154 mm Hg) Log Koa (Koawin est ): 4.391 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.46E-007 Octanol/air (Koa) model: 6.04E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.28E-006 Mackay model : 1.17E-005 Octanol/air (Koa) model: 4.83E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 99.8087 E-12 cm3/molecule-sec Half-Life = 0.107 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.286 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs Fraction sorbed to airborne particulates (phi): 8.48E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7766 Log Koc: 3.890 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 = 3.458 (BCF = 2870) log Kow used: 5.40 (estimated) Volatilization from Water: Henry LC: 0.25 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.366 hours Half-Life from Model Lake : 126.9 hours (5.286 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.20 percent Total biodegradation: 0.20 percent Total sludge adsorption: 56.37 percent Total to Air: 42.64 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.161 1.52 1000 Water 8.42 900 1000 Soil 47.1 1.8e+003 1000 Sediment 44.3 8.1e+003 0 Persistence Time: 887 hr
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