Try beta.chemspider
1,1'-[1,4-Phenylenebis(oxy)]bis(3-methoxybenzene)
COc1cccc(c1)Oc2ccc(cc2)Oc3cccc(c3)OC
InChI=1S/C20H18O4/c1-21-17-5-3-7-19(13-17)23-15-9-11-16(12-10-15)24-20-8-4-6-18(14-20)22-2/h3-14H,1-2H3
CYWQTTRVWKESKY-UHFFFAOYSA-N
CSID:546691, http://www.chemspider.com/Chemical-Structure.546691.html (accessed 02:30, May 22, 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) = 6.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 426.21 (Adapted Stein & Brown method) Melting Pt (deg C): 163.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.19E-008 (Modified Grain method) Subcooled liquid VP: 1.9E-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): 0.04029 log Kow used: 6.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.075335 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.02E-009 atm-m3/mole Group Method: 9.74E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.569E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.27 (KowWin est) Log Kaw used: -6.433 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.703 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1217 Biowin2 (Non-Linear Model) : 0.9994 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2543 (weeks-months) Biowin4 (Primary Survey Model) : 3.6911 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6335 Biowin6 (MITI Non-Linear Model): 0.4977 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2438 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): 0.000253 Pa (1.9E-006 mm Hg) Log Koa (Koawin est ): 12.703 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0118 Octanol/air (Koa) model: 1.24 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.3 Mackay model : 0.486 Octanol/air (Koa) model: 0.99 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 115.1097 E-12 cm3/molecule-sec Half-Life = 0.093 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.115 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.393 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.905E+005 Log Koc: 5.592 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 = 4.126 (BCF = 1.336e+004) log Kow used: 6.27 (estimated) Volatilization from Water: Henry LC: 9.74E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 109.8 hours (4.573 days) Half-Life from Model Lake : 1348 hours (56.16 days) Removal In Wastewater Treatment: Total removal: 93.02 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.24 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0377 2.23 1000 Water 3.13 900 1000 Soil 33 1.8e+003 1000 Sediment 63.8 8.1e+003 0 Persistence Time: 2.7e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight