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1-(4-Phenoxyphenoxy)-2-propanol
O(c2ccc(Oc1ccccc1)cc2)CC(O)C
InChI=1S/C15H16O3/c1-12(16)11-17-13-7-9-15(10-8-13)18-14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3
RVAHBQKJLFMRFE-UHFFFAOYSA-N
CSID:8575006, http://www.chemspider.com/Chemical-Structure.8575006.html (accessed 11:39, Aug 8, 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) = 3.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 362.27 (Adapted Stein & Brown method) Melting Pt (deg C): 112.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.2E-007 (Modified Grain method) Subcooled liquid VP: 2.32E-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): 72.98 log Kow used: 3.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 127.73 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.49E-010 atm-m3/mole Group Method: 8.29E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.409E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.57 (KowWin est) Log Kaw used: -7.736 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.306 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1819 Biowin2 (Non-Linear Model) : 0.9990 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7251 (weeks-months) Biowin4 (Primary Survey Model) : 3.7839 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6101 Biowin6 (MITI Non-Linear Model): 0.6349 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4648 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): 0.000309 Pa (2.32E-006 mm Hg) Log Koa (Koawin est ): 11.306 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0097 Octanol/air (Koa) model: 0.0497 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.259 Mackay model : 0.437 Octanol/air (Koa) model: 0.799 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.0912 E-12 cm3/molecule-sec Half-Life = 0.254 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.049 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.348 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 290.8 Log Koc: 2.464 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 = 1.402 (BCF = 25.24) log Kow used: 3.57 (estimated) Volatilization from Water: Henry LC: 8.29E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.104E+005 hours (4599 days) Half-Life from Model Lake : 1.204E+006 hours (5.018E+004 days) Removal In Wastewater Treatment: Total removal: 14.72 percent Total biodegradation: 0.20 percent Total sludge adsorption: 14.53 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 0.0612 6.1 1000 Water 13.1 900 1000 Soil 85.8 1.8e+003 1000 Sediment 1.12 8.1e+003 0 Persistence Time: 1.57e+003 hr
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