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Bis(2-ethylhexyl) hydrogen phosphate
CCCCC(CC)COP(=O)(O)OCC(CC)CCCC
InChI=1S/C16H35O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)
SEGLCEQVOFDUPX-UHFFFAOYSA-N
CSID:8918, http://www.chemspider.com/Chemical-Structure.8918.html (accessed 18:56, Apr 25, 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) = 6.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 400.41 (Adapted Stein & Brown method) Melting Pt (deg C): 86.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.8E-007 (Modified Grain method) MP (exp database): -60 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.05926 log Kow used: 6.07 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 182 mg/L (25 deg C) Exper. Ref: CHEM INSPECT TEST INST (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.83431 mg/L Wat Sol (Exper. database match) = 182.00 Exper. Ref: CHEM INSPECT TEST INST (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Surfactants-anionic Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.11E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.289E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.07 (KowWin est) Log Kaw used: -5.775 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.845 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8109 Biowin2 (Non-Linear Model) : 0.8926 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0833 (weeks ) Biowin4 (Primary Survey Model) : 3.9207 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1474 Biowin6 (MITI Non-Linear Model): 0.0685 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1895 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): 2.4E-005 Pa (1.8E-007 mm Hg) Log Koa (Koawin est ): 11.845 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.125 Octanol/air (Koa) model: 0.172 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.819 Mackay model : 0.909 Octanol/air (Koa) model: 0.932 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 65.3784 E-12 cm3/molecule-sec Half-Life = 0.164 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.963 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.864 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.716E+004 Log Koc: 4.235 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 = 1.694 (BCF = 49.48) log Kow used: 6.07 (estimated) Volatilization from Water: Henry LC: 4.11E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.558E+004 hours (1066 days) Half-Life from Model Lake : 2.792E+005 hours (1.163E+004 days) Removal In Wastewater Treatment: Total removal: 92.43 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.66 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 0.138 3.93 1000 Water 6.78 360 1000 Soil 38.9 720 1000 Sediment 54.2 3.24e+003 0 Persistence Time: 1.05e+003 hr
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