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1-(Diethoxymethyl)-4-propylbenzene
CCCc1ccc(cc1)C(OCC)OCC
InChI=1S/C14H22O2/c1-4-7-12-8-10-13(11-9-12)14(15-5-2)16-6-3/h8-11,14H,4-7H2,1-3H3
FMARRBDLJSOXHA-UHFFFAOYSA-N
CSID:522418, http://www.chemspider.com/Chemical-Structure.522418.html (accessed 19:50, Apr 29, 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) = 3.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 288.49 (Adapted Stein & Brown method) Melting Pt (deg C): 48.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00217 (Modified Grain method) Subcooled liquid VP: 0.00359 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): 14.13 log Kow used: 3.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 21.68 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.40E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.493E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.95 (KowWin est) Log Kaw used: -3.242 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.192 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0017 Biowin2 (Non-Linear Model) : 0.0016 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6157 (weeks-months) Biowin4 (Primary Survey Model) : 3.4390 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1706 Biowin6 (MITI Non-Linear Model): 0.1051 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3096 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): 0.479 Pa (0.00359 mm Hg) Log Koa (Koawin est ): 7.192 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.27E-006 Octanol/air (Koa) model: 3.82E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000226 Mackay model : 0.000501 Octanol/air (Koa) model: 0.000305 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.7425 E-12 cm3/molecule-sec Half-Life = 0.386 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.627 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000364 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 177.4 Log Koc: 2.249 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 = 2.342 (BCF = 220) log Kow used: 3.95 (estimated) Volatilization from Water: Henry LC: 1.4E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 63.88 hours (2.662 days) Half-Life from Model Lake : 821.9 hours (34.25 days) Removal In Wastewater Treatment: Total removal: 28.31 percent Total biodegradation: 0.30 percent Total sludge adsorption: 27.45 percent Total to Air: 0.56 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.389 9.25 1000 Water 16.3 900 1000 Soil 79.9 1.8e+003 1000 Sediment 3.42 8.1e+003 0 Persistence Time: 1.08e+003 hr
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