Try beta.chemspider
2-Methoxy-6-methylnaphthalene
Cc1ccc2cc(ccc2c1)OC
InChI=1S/C12H12O/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9/h3-8H,1-2H3
JWXYEXKKOMBZBH-UHFFFAOYSA-N
CSID:9194511, http://www.chemspider.com/Chemical-Structure.9194511.html (accessed 03:54, Apr 29, 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) = 3.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 283.43 (Adapted Stein & Brown method) Melting Pt (deg C): 55.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00247 (Modified Grain method) Subcooled liquid VP: 0.00468 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): 34.31 log Kow used: 3.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.341 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.43E-005 atm-m3/mole Group Method: 3.22E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.631E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.80 (KowWin est) Log Kaw used: -2.853 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.653 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8521 Biowin2 (Non-Linear Model) : 0.9673 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6856 (weeks-months) Biowin4 (Primary Survey Model) : 3.6078 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4862 Biowin6 (MITI Non-Linear Model): 0.4810 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0098 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): 0.624 Pa (0.00468 mm Hg) Log Koa (Koawin est ): 6.653 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.81E-006 Octanol/air (Koa) model: 1.1E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000174 Mackay model : 0.000384 Octanol/air (Koa) model: 8.83E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 120.3132 E-12 cm3/molecule-sec Half-Life = 0.089 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.067 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000279 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2118 Log Koc: 3.326 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 = 2.224 (BCF = 167.4) log Kow used: 3.80 (estimated) Volatilization from Water: Henry LC: 0.000322 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.725 hours Half-Life from Model Lake : 150.7 hours (6.278 days) Removal In Wastewater Treatment: Total removal: 30.86 percent Total biodegradation: 0.23 percent Total sludge adsorption: 20.43 percent Total to Air: 10.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.16 2.13 1000 Water 11.3 900 1000 Soil 86.9 1.8e+003 1000 Sediment 1.66 8.1e+003 0 Persistence Time: 934 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight