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Dodecahydroacenaphthylene
C1CC2CCCC3C2C(C1)CC3
InChI=1S/C12H20/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h9-12H,1-8H2
FZDZWLDRELLWNN-UHFFFAOYSA-N
CSID:92346, http://www.chemspider.com/Chemical-Structure.92346.html (accessed 16:09, Apr 23, 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) = 4.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 215.33 (Adapted Stein & Brown method) Melting Pt (deg C): 1.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.248 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.196 log Kow used: 4.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.15951 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.71E-001 atm-m3/mole Group Method: 4.25E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.482E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.92 (KowWin est) Log Kaw used: 1.045 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.875 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6693 Biowin2 (Non-Linear Model) : 0.6628 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8361 (weeks ) Biowin4 (Primary Survey Model) : 3.6107 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4310 Biowin6 (MITI Non-Linear Model): 0.3009 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0338 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.8905 BioHC Half-Life (days) : 77.7080 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 30.7 Pa (0.23 mm Hg) Log Koa (Koawin est ): 3.875 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.78E-008 Octanol/air (Koa) model: 1.84E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.53E-006 Mackay model : 7.83E-006 Octanol/air (Koa) model: 1.47E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.8284 E-12 cm3/molecule-sec Half-Life = 0.514 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.162 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.68E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6123 Log Koc: 3.787 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 = 3.088 (BCF = 1224) log Kow used: 4.92 (estimated) Volatilization from Water: Henry LC: 0.271 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: 99.36 percent Total biodegradation: 0.15 percent Total sludge adsorption: 46.71 percent Total to Air: 52.49 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.71 12.3 1000 Water 22.1 360 1000 Soil 52.9 720 1000 Sediment 21.3 3.24e+003 0 Persistence Time: 273 hr
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