Try beta.chemspider
1,2,3,4,5,6,7,8-Octahydroanthracene
c1c2c(cc3c1CCCC3)CCCC2
InChI=1S/C14H18/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h9-10H,1-8H2
LFAYMJXHGYUQNV-UHFFFAOYSA-N
CSID:59568, http://www.chemspider.com/Chemical-Structure.59568.html (accessed 09:24, 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) = 5.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 282.70 (Adapted Stein & Brown method) Melting Pt (deg C): 63.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000841 (Modified Grain method) MP (exp database): 78 deg C BP (exp database): 294 deg C Subcooled liquid VP: 0.00268 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): 0.4495 log Kow used: 5.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0995 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.82E-003 atm-m3/mole Group Method: 5.35E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.586E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.92 (KowWin est) Log Kaw used: -0.705 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.625 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8775 Biowin2 (Non-Linear Model) : 0.9353 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4881 (weeks-months) Biowin4 (Primary Survey Model) : 3.3048 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0305 Biowin6 (MITI Non-Linear Model): 0.1030 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3220 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.3087 BioHC Half-Life (days) : 203.5690 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.357 Pa (0.00268 mm Hg) Log Koa (Koawin est ): 6.625 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.4E-006 Octanol/air (Koa) model: 1.04E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000303 Mackay model : 0.000671 Octanol/air (Koa) model: 8.28E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.1173 E-12 cm3/molecule-sec Half-Life = 0.380 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.565 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000487 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.04E+004 Log Koc: 4.310 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 = 3.860 (BCF = 7241) log Kow used: 5.92 (estimated) Volatilization from Water: Henry LC: 0.000535 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.887 hours Half-Life from Model Lake : 145.9 hours (6.081 days) Removal In Wastewater Treatment: Total removal: 91.89 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.58 percent Total to Air: 0.55 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.247 9.13 1000 Water 3.97 900 1000 Soil 43.8 1.8e+003 1000 Sediment 52 8.1e+003 0 Persistence Time: 1.98e+003 hr
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