Try beta.chemspider
7,8,10,11,20,21,23,24-Octahydrodinaphtho[2,3-b:2',3'-k][1,4,7,10,13,16]hexaoxacyclooctadecine
c1ccc2cc3c(cc2c1)OCCOCCOc4cc5ccccc5cc4OCCOCCO3
InChI=1S/C28H28O6/c1-2-6-22-18-26-25(17-21(22)5-1)31-13-9-29-11-15-33-27-19-23-7-3-4-8-24(23)20-28(27)34-16-12-30-10-14-32-26/h1-8,17-20H,9-16H2
NLXVWLVABCJVQW-UHFFFAOYSA-N
CSID:2033068, http://www.chemspider.com/Chemical-Structure.2033068.html (accessed 03:30, Jul 4, 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) = 5.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 610.72 (Adapted Stein & Brown method) Melting Pt (deg C): 264.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.22E-014 (Modified Grain method) Subcooled liquid VP: 3.87E-011 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): 0.001458 log Kow used: 5.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.018066 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.50E-015 atm-m3/mole Group Method: 1.23E-013 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.832E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.66 (KowWin est) Log Kaw used: -12.576 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.236 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3612 Biowin2 (Non-Linear Model) : 0.1984 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9316 (months ) Biowin4 (Primary Survey Model) : 3.4723 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3824 Biowin6 (MITI Non-Linear Model): 0.0864 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0716 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): 5.16E-009 Pa (3.87E-011 mm Hg) Log Koa (Koawin est ): 18.236 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 581 Octanol/air (Koa) model: 4.23E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 256.0624 E-12 cm3/molecule-sec Half-Life = 0.042 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.501 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.971E+005 Log Koc: 5.776 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 = 3.657 (BCF = 4544) log Kow used: 5.66 (estimated) Volatilization from Water: Henry LC: 1.23E-013 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.021E+010 hours (4.256E+008 days) Half-Life from Model Lake : 1.114E+011 hours (4.643E+009 days) Removal In Wastewater Treatment: Total removal: 89.99 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.24 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 0.00733 1 1000 Water 3.96 1.44e+003 1000 Soil 50.5 2.88e+003 1000 Sediment 45.5 1.3e+004 0 Persistence Time: 3.77e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight