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Dodecyl diethyl phosphite
CCCCCCCCCCCCOP(OCC)OCC
InChI=1S/C16H35O3P/c1-4-7-8-9-10-11-12-13-14-15-16-19-20(17-5-2)18-6-3/h4-16H2,1-3H3
BJQNLIAFYAFGLD-UHFFFAOYSA-N
CSID:270336, http://www.chemspider.com/Chemical-Structure.270336.html (accessed 07:51, May 16, 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) = 5.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 343.99 (Adapted Stein & Brown method) Melting Pt (deg C): 82.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.21E-005 (Modified Grain method) Subcooled liquid VP: 0.000183 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): 0.1667 log Kow used: 5.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00043904 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.26E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.260E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.66 (KowWin est) Log Kaw used: -1.759 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.419 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7101 Biowin2 (Non-Linear Model) : 0.6227 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8203 (weeks ) Biowin4 (Primary Survey Model) : 3.6747 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4442 Biowin6 (MITI Non-Linear Model): 0.3365 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6175 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): 0.0244 Pa (0.000183 mm Hg) Log Koa (Koawin est ): 7.419 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000123 Octanol/air (Koa) model: 6.44E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00442 Mackay model : 0.00974 Octanol/air (Koa) model: 0.000515 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 76.2129 E-12 cm3/molecule-sec Half-Life = 0.140 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.684 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00708 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.224E+005 Log Koc: 5.859 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 = 2.655 (BCF = 451.3) log Kow used: 5.66 (estimated) Volatilization from Water: Henry LC: 0.000426 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.192 hours Half-Life from Model Lake : 192.5 hours (8.021 days) Removal In Wastewater Treatment: Total removal: 90.17 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.63 percent Total to Air: 0.80 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.277 3.37 1000 Water 9.42 360 1000 Soil 50.2 720 1000 Sediment 40.1 3.24e+003 0 Persistence Time: 689 hr
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