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2-({4-[2-(Cyclopropylmethoxy)ethyl]phenoxy}methyl)oxirane
C1CC1COCCC2=CC=C(C=C2)OCC3CO3
InChI=1S/C15H20O3/c1-2-13(1)9-16-8-7-12-3-5-14(6-4-12)17-10-15-11-18-15/h3-6,13,15H,1-2,7-11H2
DQRZXLUCRJNWKV-UHFFFAOYSA-N
CSID:9966216, http://www.chemspider.com/Chemical-Structure.9966216.html (accessed 06:07, Jun 1, 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) = 3.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 333.24 (Adapted Stein & Brown method) Melting Pt (deg C): 97.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.45E-005 (Modified Grain method) Subcooled liquid VP: 0.000328 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): 47.07 log Kow used: 3.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 58.94 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.22E-008 atm-m3/mole Group Method: 1.65E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.477E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.17 (KowWin est) Log Kaw used: -6.302 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.472 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1212 Biowin2 (Non-Linear Model) : 0.0104 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5001 (weeks-months) Biowin4 (Primary Survey Model) : 3.4786 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3810 Biowin6 (MITI Non-Linear Model): 0.1916 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2071 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): 0.0437 Pa (0.000328 mm Hg) Log Koa (Koawin est ): 9.472 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.86E-005 Octanol/air (Koa) model: 0.000728 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00247 Mackay model : 0.00546 Octanol/air (Koa) model: 0.055 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 51.2513 E-12 cm3/molecule-sec Half-Life = 0.209 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.504 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00396 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 152.6 Log Koc: 2.183 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 = 1.744 (BCF = 55.45) log Kow used: 3.17 (estimated) Volatilization from Water: Henry LC: 1.22E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.563E+004 hours (3151 days) Half-Life from Model Lake : 8.251E+005 hours (3.438E+004 days) Removal In Wastewater Treatment: Total removal: 7.42 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.29 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 0.0641 5.01 1000 Water 14.3 900 1000 Soil 85.2 1.8e+003 1000 Sediment 0.477 8.1e+003 0 Persistence Time: 1.48e+003 hr
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