5,5',6,6',7,7',8,8'-Octahydro-1,1'-binaphthalene-2,2'-diol
c1cc(c(c2c1CCCC2)c3c(ccc4c3CCCC4)O)O
InChI=1S/C20H22O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h9-12,21-22H,1-8H2
UTXIFKBYNJRJPH-UHFFFAOYSA-N
CSID:2926132, http://www.chemspider.com/Chemical-Structure.2926132.html (accessed 10:27, Apr 19, 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) = 6.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 469.42 (Adapted Stein & Brown method) Melting Pt (deg C): 194.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.26E-012 (Modified Grain method) Subcooled liquid VP: 5.54E-010 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): 0.09415 log Kow used: 6.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.049687 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.52E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.810E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.03 (KowWin est) Log Kaw used: -3.207 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.237 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9249 Biowin2 (Non-Linear Model) : 0.7434 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8685 (weeks ) Biowin4 (Primary Survey Model) : 3.6819 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3412 Biowin6 (MITI Non-Linear Model): 0.1236 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1526 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 7.39E-008 Pa (5.54E-010 mm Hg) Log Koa (Koawin est ): 9.237 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 40.6 Octanol/air (Koa) model: 0.000424 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 0.0328 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 473.1262 E-12 cm3/molecule-sec Half-Life = 0.023 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 16.277 Min Ozone Reaction: OVERALL Ozone Rate Constant = 419.048706 E-17 cm3/molecule-sec Half-Life = 0.003 Days (at 7E11 mol/cm3) Half-Life = 3.938 Min Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 364.6 Log Koc: 2.562 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 = 3.942 (BCF = 8741) log Kow used: 6.03 (estimated) Volatilization from Water: Henry LC: 1.52E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 67.84 hours (2.827 days) Half-Life from Model Lake : 884 hours (36.83 days) Removal In Wastewater Treatment: Total removal: 92.28 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.50 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00302 0.0586 1000 Water 7.37 360 1000 Soil 36.7 720 1000 Sediment 55.9 3.24e+003 0 Persistence Time: 945 hr
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