2,4-Dimethyl-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)-1,3-dioxolane
CC1COC(O1)(C)c2ccc3c(c2)C(CCC3(C)C)(C)C
InChI=1S/C19H28O2/c1-13-12-20-19(6,21-13)14-7-8-15-16(11-14)18(4,5)10-9-17(15,2)3/h7-8,11,13H,9-10,12H2,1-6H3
JEPWTUCYPWOCQV-UHFFFAOYSA-N
CSID:2298767, http://www.chemspider.com/Chemical-Structure.2298767.html (accessed 11:21, 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) = 6.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 344.37 (Adapted Stein & Brown method) Melting Pt (deg C): 121.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.05E-005 (Modified Grain method) Subcooled liquid VP: 0.000368 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): 0.04335 log Kow used: 6.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.46803 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.44E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.546E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.46 (KowWin est) Log Kaw used: -2.001 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.461 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.6363 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9081 (months ) Biowin4 (Primary Survey Model) : 2.9518 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1525 Biowin6 (MITI Non-Linear Model): 0.0174 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6997 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): 0.0491 Pa (0.000368 mm Hg) Log Koa (Koawin est ): 8.461 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.11E-005 Octanol/air (Koa) model: 7.1E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0022 Mackay model : 0.00487 Octanol/air (Koa) model: 0.00564 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 234.6892 E-12 cm3/molecule-sec Half-Life = 0.046 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.547 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.985000 E-17 cm3/molecule-sec Half-Life = 1.163 Days (at 7E11 mol/cm3) Half-Life = 27.923 Hrs Fraction sorbed to airborne particulates (phi): 0.00354 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1009 Log Koc: 3.004 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 = 4.276 (BCF = 1.89e+004) log Kow used: 6.46 (estimated) Volatilization from Water: Henry LC: 0.000244 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.808 hours Half-Life from Model Lake : 205.8 hours (8.574 days) Removal In Wastewater Treatment: Total removal: 93.39 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.53 percent Total to Air: 0.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0138 1.05 1000 Water 1.95 1.44e+003 1000 Soil 34.7 2.88e+003 1000 Sediment 63.3 1.3e+004 0 Persistence Time: 3.99e+003 hr
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