Try beta.chemspider
1,1'-[1,3-Phenylenebis(oxy)]dinaphthalene
c1ccc2c(c1)cccc2Oc3cccc(c3)Oc4cccc5c4cccc5
InChI=1S/C26H18O2/c1-3-14-23-19(8-1)10-5-16-25(23)27-21-12-7-13-22(18-21)28-26-17-6-11-20-9-2-4-15-24(20)26/h1-18H
VAIAARMMSIQHPZ-UHFFFAOYSA-N
CSID:4172791, http://www.chemspider.com/Chemical-Structure.4172791.html (accessed 18:36, May 21, 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) = 8.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 520.70 (Adapted Stein & Brown method) Melting Pt (deg C): 219.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.84E-011 (Modified Grain method) Subcooled liquid VP: 8.19E-009 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): 2.421e-005 log Kow used: 8.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00012006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.46E-008 atm-m3/mole Group Method: 7.05E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.347E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.46 (KowWin est) Log Kaw used: -5.998 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.458 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8388 Biowin2 (Non-Linear Model) : 0.9136 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2820 (weeks-months) Biowin4 (Primary Survey Model) : 3.4791 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1723 Biowin6 (MITI Non-Linear Model): 0.0419 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5256 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): 1.09E-006 Pa (8.19E-009 mm Hg) Log Koa (Koawin est ): 14.458 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.75 Octanol/air (Koa) model: 70.5 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.99 Mackay model : 0.995 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 121.4309 E-12 cm3/molecule-sec Half-Life = 0.088 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.057 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.124E+006 Log Koc: 6.710 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 = 2.813 (BCF = 650.3) log Kow used: 8.46 (estimated) Volatilization from Water: Henry LC: 7.05E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.581E+004 hours (658.8 days) Half-Life from Model Lake : 1.727E+005 hours (7194 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.0285 2.11 1000 Water 1.88 900 1000 Soil 29.3 1.8e+003 1000 Sediment 68.8 8.1e+003 0 Persistence Time: 3.17e+003 hr
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