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4-{[8-(Acryloyloxy)octyl]oxy}benzoic acid
C=CC(=O)OCCCCCCCCOc1ccc(cc1)C(=O)O
InChI=1S/C18H24O5/c1-2-17(19)23-14-8-6-4-3-5-7-13-22-16-11-9-15(10-12-16)18(20)21/h2,9-12H,1,3-8,13-14H2,(H,20,21)
NILHWSPFJLBSCB-UHFFFAOYSA-N
CSID:15607666, http://www.chemspider.com/Chemical-Structure.15607666.html (accessed 16:49, Jul 27, 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) = 5.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 433.93 (Adapted Stein & Brown method) Melting Pt (deg C): 168.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.1E-008 (Modified Grain method) Subcooled liquid VP: 1.23E-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): 0.2838 log Kow used: 5.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.1053 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.85E-011 atm-m3/mole Group Method: 5.87E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.090E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.29 (KowWin est) Log Kaw used: -8.621 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.911 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0780 Biowin2 (Non-Linear Model) : 0.9993 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6611 (weeks-months) Biowin4 (Primary Survey Model) : 3.6993 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.1217 Biowin6 (MITI Non-Linear Model): 0.9705 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0572 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): 0.000164 Pa (1.23E-006 mm Hg) Log Koa (Koawin est ): 13.911 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0183 Octanol/air (Koa) model: 20 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.398 Mackay model : 0.594 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.6194 E-12 cm3/molecule-sec Half-Life = 0.284 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.412 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.496 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 689.2 Log Koc: 2.838 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.224E-003 L/mol-sec Kb Half-Life at pH 8: 2.381 years Kb Half-Life at pH 7: 23.812 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.750 (BCF = 5.623) log Kow used: 5.29 (estimated) Volatilization from Water: Henry LC: 5.87E-011 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.785E+007 hours (7.439E+005 days) Half-Life from Model Lake : 1.948E+008 hours (8.115E+006 days) Removal In Wastewater Treatment: Total removal: 84.99 percent Total biodegradation: 0.73 percent Total sludge adsorption: 84.26 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 0.000586 6.54 1000 Water 6.61 900 1000 Soil 65.5 1.8e+003 1000 Sediment 27.9 8.1e+003 0 Persistence Time: 2.5e+003 hr
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