Try beta.chemspider
24,31-Dimethyl-3,6,9,12,15,18-hexaoxatetracyclo[18.8.2.2~23,26~.0~2,19~]dotriaconta-1,19,23,25,29,31-hexaene
Cc1cc2c(cc1CCc3ccc(c4c3OCCOCCOCCOCCOCCO4)CC2)C
InChI=1S/C28H38O6/c1-21-19-26-8-6-24-4-3-23(5-7-25(21)20-22(26)2)27-28(24)34-18-16-32-14-12-30-10-9-29-11-13-31-15-17-33-27/h3-4,19-20H,5-18H2,1-2H3
BTOOAGIXQIZOAU-UHFFFAOYSA-N
CSID:3372978, http://www.chemspider.com/Chemical-Structure.3372978.html (accessed 01:52, Apr 24, 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) = 4.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 564.86 (Adapted Stein & Brown method) Melting Pt (deg C): 242.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.63E-012 (Modified Grain method) Subcooled liquid VP: 6.03E-010 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): 0.1993 log Kow used: 4.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1888.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.70E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.171E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.38 (KowWin est) Log Kaw used: -10.158 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.538 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.3420 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8078 (months ) Biowin4 (Primary Survey Model) : 2.8362 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4420 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.4726 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): 8.04E-008 Pa (6.03E-010 mm Hg) Log Koa (Koawin est ): 14.538 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 37.3 Octanol/air (Koa) model: 84.7 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 561.9434 E-12 cm3/molecule-sec Half-Life = 0.019 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.704 Min Ozone Reaction: OVERALL Ozone Rate Constant = 855.737488 E-17 cm3/molecule-sec Half-Life = 0.001 Days (at 7E11 mol/cm3) Half-Life = 1.928 Min Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 84.72 Log Koc: 1.928 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 = 2.675 (BCF = 473) log Kow used: 4.38 (estimated) Volatilization from Water: Henry LC: 1.7E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.471E+008 hours (3.113E+007 days) Half-Life from Model Lake : 8.15E+009 hours (3.396E+008 days) Removal In Wastewater Treatment: Total removal: 49.60 percent Total biodegradation: 0.47 percent Total sludge adsorption: 49.12 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 0.000784 0.03 1000 Water 12.2 1.44e+003 1000 Soil 78.7 2.88e+003 1000 Sediment 9.09 1.3e+004 0 Persistence Time: 1.79e+003 hr
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