Try beta.chemspider
Decyl diphenyl phosphate
CCCCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2
InChI=1S/C22H31O4P/c1-2-3-4-5-6-7-8-15-20-24-27(23,25-21-16-11-9-12-17-21)26-22-18-13-10-14-19-22/h9-14,16-19H,2-8,15,20H2,1H3
UZJUEEROTUVKNS-UHFFFAOYSA-N
CSID:55616, http://www.chemspider.com/Chemical-Structure.55616.html (accessed 06:01, 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) = 7.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 473.15 (Adapted Stein & Brown method) Melting Pt (deg C): 89.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.11E-008 (Modified Grain method) Subcooled liquid VP: 1.3E-007 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): 0.001843 log Kow used: 7.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0099965 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 : 4.36E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.670E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.35 (KowWin est) Log Kaw used: -4.749 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.099 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2402 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8324 (weeks ) Biowin4 (Primary Survey Model) : 4.0286 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2326 Biowin6 (MITI Non-Linear Model): 0.0738 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6818 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): 1.73E-005 Pa (1.3E-007 mm Hg) Log Koa (Koawin est ): 12.099 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.173 Octanol/air (Koa) model: 0.308 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.862 Mackay model : 0.933 Octanol/air (Koa) model: 0.961 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 41.9864 E-12 cm3/molecule-sec Half-Life = 0.255 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.057 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.897 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.931E+004 Log Koc: 4.773 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 = 2.046 (BCF = 111.2) log Kow used: 7.35 (estimated) Volatilization from Water: Henry LC: 4.36E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2655 hours (110.6 days) Half-Life from Model Lake : 2.913E+004 hours (1214 days) Removal In Wastewater Treatment: Total removal: 93.95 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.17 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 0.172 6.11 1000 Water 3.8 360 1000 Soil 31.1 720 1000 Sediment 64.9 3.24e+003 0 Persistence Time: 1.29e+003 hr
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