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[2,2-Bis(undecyloxy)ethyl]benzene
CCCCCCCCCCCOC(Cc1ccccc1)OCCCCCCCCCCC
InChI=1S/C30H54O2/c1-3-5-7-9-11-13-15-17-22-26-31-30(28-29-24-20-19-21-25-29)32-27-23-18-16-14-12-10-8-6-4-2/h19-21,24-25,30H,3-18,22-23,26-28H2,1-2H3
FFSLFIYMXFVLQN-UHFFFAOYSA-N
CSID:2289451, http://www.chemspider.com/Chemical-Structure.2289451.html (accessed 03:29, Jul 4, 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) = 11.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 482.10 (Adapted Stein & Brown method) Melting Pt (deg C): 182.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.79E-009 (Modified Grain method) Subcooled liquid VP: 7.76E-008 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): 1.435e-007 log Kow used: 11.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.4676e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.57E-003 atm-m3/mole Group Method: 1.04E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.333E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 11.75 (KowWin est) Log Kaw used: -1.193 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.943 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2398 Biowin2 (Non-Linear Model) : 0.0158 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7384 (weeks-months) Biowin4 (Primary Survey Model) : 3.6582 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3098 Biowin6 (MITI Non-Linear Model): 0.1706 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4998 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): 1.03E-005 Pa (7.76E-008 mm Hg) Log Koa (Koawin est ): 12.943 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.29 Octanol/air (Koa) model: 2.15 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.913 Mackay model : 0.959 Octanol/air (Koa) model: 0.994 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 59.1996 E-12 cm3/molecule-sec Half-Life = 0.181 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.168 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.936 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.386E+006 Log Koc: 6.530 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 = 0.500 (BCF = 3.162) log Kow used: 11.75 (estimated) Volatilization from Water: Henry LC: 0.00157 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.945 hours Half-Life from Model Lake : 209.4 hours (8.723 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.052 4.34 1000 Water 1.85 900 1000 Soil 30.1 1.8e+003 1000 Sediment 68 8.1e+003 0 Persistence Time: 3.24e+003 hr
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