Try beta.chemspider
1,1'-(2,2-Propanediyl)bis[4-(vinyloxy)benzene]
CC(C)(c1ccc(cc1)OC=C)c2ccc(cc2)OC=C
InChI=1S/C19H20O2/c1-5-20-17-11-7-15(8-12-17)19(3,4)16-9-13-18(14-10-16)21-6-2/h5-14H,1-2H2,3-4H3
YOTSWLOWHSUGIM-UHFFFAOYSA-N
CSID:69780, http://www.chemspider.com/Chemical-Structure.69780.html (accessed 07:57, May 13, 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) = 5.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 362.65 (Adapted Stein & Brown method) Melting Pt (deg C): 116.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.31E-006 (Modified Grain method) Subcooled liquid VP: 6.6E-005 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): 0.3368 log Kow used: 5.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.021843 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 : 1.31E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.102E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.47 (KowWin est) Log Kaw used: -2.271 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.741 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6940 Biowin2 (Non-Linear Model) : 0.8583 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2512 (weeks-months) Biowin4 (Primary Survey Model) : 3.4440 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4398 Biowin6 (MITI Non-Linear Model): 0.2054 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5058 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): 0.0088 Pa (6.6E-005 mm Hg) Log Koa (Koawin est ): 7.741 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000341 Octanol/air (Koa) model: 1.35E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0122 Mackay model : 0.0265 Octanol/air (Koa) model: 0.00108 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 104.5298 E-12 cm3/molecule-sec Half-Life = 0.102 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.228 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.750000 E-17 cm3/molecule-sec Half-Life = 0.655 Days (at 7E11 mol/cm3) Half-Life = 15.717 Hrs Fraction sorbed to airborne particulates (phi): 0.0194 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.94E+004 Log Koc: 4.694 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 = 3.515 (BCF = 3277) log Kow used: 5.47 (estimated) Volatilization from Water: Henry LC: 0.000131 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.192 hours Half-Life from Model Lake : 240.7 hours (10.03 days) Removal In Wastewater Treatment: Total removal: 88.00 percent Total biodegradation: 0.74 percent Total sludge adsorption: 86.83 percent Total to Air: 0.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0755 2.12 1000 Water 6.59 900 1000 Soil 53.6 1.8e+003 1000 Sediment 39.7 8.1e+003 0 Persistence Time: 1.62e+003 hr
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