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2-[(3-Pentadecylphenoxy)methyl]oxirane
CCCCCCCCCCCCCCCc1cccc(c1)OCC2CO2
InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22-17-15-18-23(19-22)25-20-24-21-26-24/h15,17-19,24H,2-14,16,20-21H2,1H3
FLMRHAZRTLGUHB-UHFFFAOYSA-N
CSID:77620, http://www.chemspider.com/Chemical-Structure.77620.html (accessed 10:47, May 22, 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) = 9.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 424.12 (Adapted Stein & Brown method) Melting Pt (deg C): 153.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.04E-007 (Modified Grain method) Subcooled liquid VP: 2.14E-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): 0.0001026 log Kow used: 9.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.164e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.02E-005 atm-m3/mole Group Method: 2.50E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.809E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.04 (KowWin est) Log Kaw used: -2.784 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.824 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5235 Biowin2 (Non-Linear Model) : 0.2949 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5590 (weeks-months) Biowin4 (Primary Survey Model) : 3.5954 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5377 Biowin6 (MITI Non-Linear Model): 0.4568 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1393 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): 0.000285 Pa (2.14E-006 mm Hg) Log Koa (Koawin est ): 11.824 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0105 Octanol/air (Koa) model: 0.164 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.275 Mackay model : 0.457 Octanol/air (Koa) model: 0.929 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 80.3618 E-12 cm3/molecule-sec Half-Life = 0.133 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.597 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.366 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.675E+005 Log Koc: 5.565 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 8.791E-004 L/mol-sec Ka Half-Life at pH 7: 249.834 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.520 (BCF = 3.313) log Kow used: 9.04 (estimated) Volatilization from Water: Henry LC: 4.02E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 29.59 hours (1.233 days) Half-Life from Model Lake : 482.1 hours (20.09 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 0.0449 3.19 1000 Water 1.89 900 1000 Soil 28.6 1.8e+003 1000 Sediment 69.5 8.1e+003 0 Persistence Time: 3.14e+003 hr
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