Try beta.chemspider
4a-Methyldecahydronaphthalene
CC12CCCCC1CCCC2
InChI=1S/C11H20/c1-11-8-4-2-6-10(11)7-3-5-9-11/h10H,2-9H2,1H3
RAFDCSMAXTUJKJ-UHFFFAOYSA-N
CSID:121293, http://www.chemspider.com/Chemical-Structure.121293.html (accessed 07:30, Apr 30, 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) = 4.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 189.27 (Adapted Stein & Brown method) Melting Pt (deg C): -8.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.859 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.302 log Kow used: 4.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.71903 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.64E-001 atm-m3/mole Group Method: 1.81E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.477E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.65 (KowWin est) Log Kaw used: 1.278 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.372 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4911 Biowin2 (Non-Linear Model) : 0.2938 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6505 (weeks-months) Biowin4 (Primary Survey Model) : 3.4746 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4974 Biowin6 (MITI Non-Linear Model): 0.5770 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4984 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.3865 BioHC Half-Life (days) : 243.4729 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 105 Pa (0.785 mm Hg) Log Koa (Koawin est ): 3.372 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.87E-008 Octanol/air (Koa) model: 5.78E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.04E-006 Mackay model : 2.29E-006 Octanol/air (Koa) model: 4.62E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.0818 E-12 cm3/molecule-sec Half-Life = 0.709 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.510 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.66E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2806 Log Koc: 3.448 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 = 2.880 (BCF = 759.3) log Kow used: 4.65 (estimated) Volatilization from Water: Henry LC: 0.464 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.261 hours Half-Life from Model Lake : 117.2 hours (4.884 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.60 percent Total biodegradation: 0.12 percent Total sludge adsorption: 38.59 percent Total to Air: 60.89 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.6 17 1000 Water 31.3 900 1000 Soil 29 1.8e+003 1000 Sediment 33 8.1e+003 0 Persistence Time: 247 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 189.27 (Adapted Stein & Brown method) Melting Pt (deg C): -8.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.859 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.302 log Kow used: 4.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.71903 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.64E-001 atm-m3/mole Group Method: 1.81E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.477E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.65 (KowWin est) Log Kaw used: 1.278 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.372 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4911 Biowin2 (Non-Linear Model) : 0.2938 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6505 (weeks-months) Biowin4 (Primary Survey Model) : 3.4746 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4974 Biowin6 (MITI Non-Linear Model): 0.5770 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4984 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.3865 BioHC Half-Life (days) : 243.4729 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 105 Pa (0.785 mm Hg) Log Koa (Koawin est ): 3.372 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.87E-008 Octanol/air (Koa) model: 5.78E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.04E-006 Mackay model : 2.29E-006 Octanol/air (Koa) model: 4.62E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.0818 E-12 cm3/molecule-sec Half-Life = 0.709 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.510 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.66E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2806 Log Koc: 3.448 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 = 2.880 (BCF = 759.3) log Kow used: 4.65 (estimated) Volatilization from Water: Henry LC: 0.464 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.261 hours Half-Life from Model Lake : 117.2 hours (4.884 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.60 percent Total biodegradation: 0.12 percent Total sludge adsorption: 38.59 percent Total to Air: 60.89 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.6 17 1000 Water 31.3 900 1000 Soil 29 1.8e+003 1000 Sediment 33 8.1e+003 0 Persistence Time: 247 hr
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