Try beta.chemspider
3,3',4,4'-Tetrahydro-1,1'-binaphthalene
c1ccc2c(c1)CCC=C2C3=CCCc4c3cccc4
InChI=1S/C20H18/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20/h1-4,7-8,11-14H,5-6,9-10H2
QZIBLSYKUOHZFG-UHFFFAOYSA-N
CSID:191881, http://www.chemspider.com/Chemical-Structure.191881.html (accessed 18:23, May 16, 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) = 7.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 377.33 (Adapted Stein & Brown method) Melting Pt (deg C): 132.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.46E-006 (Modified Grain method) Subcooled liquid VP: 2.94E-005 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): 0.01352 log Kow used: 7.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.010789 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.08E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.186E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.26 (KowWin est) Log Kaw used: -2.430 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.690 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7339 Biowin2 (Non-Linear Model) : 0.6211 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4785 (weeks-months) Biowin4 (Primary Survey Model) : 3.3379 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0503 Biowin6 (MITI Non-Linear Model): 0.0243 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5580 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.6851 BioHC Half-Life (days) : 484.2639 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00392 Pa (2.94E-005 mm Hg) Log Koa (Koawin est ): 9.690 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000765 Octanol/air (Koa) model: 0.0012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0269 Mackay model : 0.0577 Octanol/air (Koa) model: 0.0877 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 273.7055 E-12 cm3/molecule-sec Half-Life = 0.039 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.136 Min Ozone Reaction: OVERALL Ozone Rate Constant = 4928.040039 E-17 cm3/molecule-sec Half-Life = 0.000 Days (at 7E11 mol/cm3) Half-Life = 0.335 Min Fraction sorbed to airborne particulates (phi): 0.0423 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.031E+005 Log Koc: 5.905 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 = 4.460 (BCF = 2.881e+004) log Kow used: 7.26 (estimated) Volatilization from Water: Henry LC: 9.08E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 12 hours Half-Life from Model Lake : 265.7 hours (11.07 days) Removal In Wastewater Treatment: Total removal: 93.93 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.15 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 8.91e-005 0.00555 1000 Water 2.04 900 1000 Soil 28.6 1.8e+003 1000 Sediment 69.3 8.1e+003 0 Persistence Time: 3.02e+003 hr
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