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Di-sec-butyl ethyl phosphate
CCC(C)OP(=O)(OCC)OC(C)CC
InChI=1S/C10H23O4P/c1-6-9(4)13-15(11,12-8-3)14-10(5)7-2/h9-10H,6-8H2,1-5H3
VXIYEBQBPZBGNF-UHFFFAOYSA-N
CSID:269497, http://www.chemspider.com/Chemical-Structure.269497.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) = 2.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 280.99 (Adapted Stein & Brown method) Melting Pt (deg C): 25.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00532 (Modified Grain method) Subcooled liquid VP: 0.00532 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): 138.7 log Kow used: 2.69 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3010.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Esters (phosphate) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.81E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.203E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.69 (KowWin est) Log Kaw used: -4.131 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.821 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9481 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8264 (weeks ) Biowin4 (Primary Survey Model) : 3.9693 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2070 Biowin6 (MITI Non-Linear Model): 0.1155 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7115 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): 0.709 Pa (0.00532 mm Hg) Log Koa (Koawin est ): 6.821 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.23E-006 Octanol/air (Koa) model: 1.63E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000153 Mackay model : 0.000338 Octanol/air (Koa) model: 0.00013 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 120.1152 E-12 cm3/molecule-sec Half-Life = 0.089 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.069 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000245 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 427.9 Log Koc: 2.631 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 = 0.591 (BCF = 3.896) log Kow used: 2.69 (estimated) Volatilization from Water: Henry LC: 1.81E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 500.9 hours (20.87 days) Half-Life from Model Lake : 5594 hours (233.1 days) Removal In Wastewater Treatment: Total removal: 3.87 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.66 percent Total to Air: 0.10 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.225 2.14 1000 Water 26.5 360 1000 Soil 73 720 1000 Sediment 0.253 3.24e+003 0 Persistence Time: 448 hr
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