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3,6,6,9-Tetramethyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-ol
Cc1cc(c2c(c1)OC(C3=C2CC(CC3)C)(C)C)O
InChI=1S/C17H22O2/c1-10-5-6-13-12(7-10)16-14(18)8-11(2)9-15(16)19-17(13,3)4/h8-10,18H,5-7H2,1-4H3
WIVRCLNIDINBEF-UHFFFAOYSA-N
CSID:258750, http://www.chemspider.com/Chemical-Structure.258750.html (accessed 13:20, 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) = 5.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 363.18 (Adapted Stein & Brown method) Melting Pt (deg C): 134.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.29E-006 (Modified Grain method) Subcooled liquid VP: 1.61E-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): 0.9677 log Kow used: 5.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.7412 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.36E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.532E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.76 (KowWin est) Log Kaw used: -5.749 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.509 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7430 Biowin2 (Non-Linear Model) : 0.7943 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3395 (weeks-months) Biowin4 (Primary Survey Model) : 3.3698 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4013 Biowin6 (MITI Non-Linear Model): 0.1770 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3613 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): 0.00215 Pa (1.61E-005 mm Hg) Log Koa (Koawin est ): 11.509 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0014 Octanol/air (Koa) model: 0.0793 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0481 Mackay model : 0.101 Octanol/air (Koa) model: 0.864 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 318.0410 E-12 cm3/molecule-sec Half-Life = 0.034 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 24.214 Min Ozone Reaction: OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 18.599 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0743 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.046E+004 Log Koc: 4.703 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 = 3.738 (BCF = 5464) log Kow used: 5.76 (estimated) Volatilization from Water: Henry LC: 4.36E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.159E+004 hours (899.4 days) Half-Life from Model Lake : 2.356E+005 hours (9817 days) Removal In Wastewater Treatment: Total removal: 90.80 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.04 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 0.00481 0.224 1000 Water 5.35 900 1000 Soil 40.1 1.8e+003 1000 Sediment 54.5 8.1e+003 0 Persistence Time: 2.19e+003 hr
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