2-(2,3,4,4a,6,6a,7,8,9,10b-Decahydro-1H-benzo[c]chromen-6-yl)phenol
c1ccc(c(c1)C2C3CCCC=C3C4CCCCC4O2)O
InChI=1S/C19H24O2/c20-17-11-5-3-10-16(17)19-15-9-2-1-7-13(15)14-8-4-6-12-18(14)21-19/h3,5,7,10-11,14-15,18-20H,1-2,4,6,8-9,12H2
OHGDLAIDNZPIJH-UHFFFAOYSA-N
CSID:2106508, http://www.chemspider.com/Chemical-Structure.2106508.html (accessed 05:19, Apr 18, 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) = 4.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 395.32 (Adapted Stein & Brown method) Melting Pt (deg C): 148.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.31E-007 (Modified Grain method) Subcooled liquid VP: 2.33E-006 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): 7.652 log Kow used: 4.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11.299 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.45E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.406E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.54 (KowWin est) Log Kaw used: -6.227 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.767 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3806 Biowin2 (Non-Linear Model) : 0.0279 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6184 (weeks-months) Biowin4 (Primary Survey Model) : 3.4674 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1365 Biowin6 (MITI Non-Linear Model): 0.0368 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4843 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): 0.000311 Pa (2.33E-006 mm Hg) Log Koa (Koawin est ): 10.767 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00966 Octanol/air (Koa) model: 0.0144 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.259 Mackay model : 0.436 Octanol/air (Koa) model: 0.535 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 175.1018 E-12 cm3/molecule-sec Half-Life = 0.061 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.733 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.378 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.347 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.225E+004 Log Koc: 4.859 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 = 2.794 (BCF = 623) log Kow used: 4.54 (estimated) Volatilization from Water: Henry LC: 1.45E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.81E+004 hours (2837 days) Half-Life from Model Lake : 7.43E+005 hours (3.096E+004 days) Removal In Wastewater Treatment: Total removal: 58.12 percent Total biodegradation: 0.54 percent Total sludge adsorption: 57.58 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0157 0.445 1000 Water 14.5 900 1000 Soil 73.6 1.8e+003 1000 Sediment 11.9 8.1e+003 0 Persistence Time: 1.25e+003 hr
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