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2,3-Dihydro-1,4-benzodioxin-5-ylmethanol
c1cc(c2c(c1)OCCO2)CO
InChI=1S/C9H10O3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3,10H,4-6H2
WATIARBIFSKYKC-UHFFFAOYSA-N
CSID:2056504, http://www.chemspider.com/Chemical-Structure.2056504.html (accessed 14:55, Apr 26, 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) = 1.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 293.99 (Adapted Stein & Brown method) Melting Pt (deg C): 72.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.02E-005 (Modified Grain method) Subcooled liquid VP: 0.000198 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): 2.271e+004 log Kow used: 1.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10524 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.35E-010 atm-m3/mole Group Method: 3.22E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.759E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.12 (KowWin est) Log Kaw used: -7.863 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.983 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0910 Biowin2 (Non-Linear Model) : 0.9981 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8757 (weeks ) Biowin4 (Primary Survey Model) : 3.8917 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7778 Biowin6 (MITI Non-Linear Model): 0.8896 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7912 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0264 Pa (0.000198 mm Hg) Log Koa (Koawin est ): 8.983 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000114 Octanol/air (Koa) model: 0.000236 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00409 Mackay model : 0.00901 Octanol/air (Koa) model: 0.0185 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.6457 E-12 cm3/molecule-sec Half-Life = 0.168 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.017 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00655 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = -0.484 (BCF = 0.3282) log Kow used: 1.12 (estimated) Volatilization from Water: Henry LC: 3.22E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.344E+005 hours (9766 days) Half-Life from Model Lake : 2.557E+006 hours (1.065E+005 days) Removal In Wastewater Treatment: Total removal: 1.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.81 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 0.0626 4.03 1000 Water 34.6 360 1000 Soil 65.3 720 1000 Sediment 0.0712 3.24e+003 0 Persistence Time: 570 hr
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