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(2,6-Dimethoxyphenyl)[bis(2-methyl-2-propanyl)]phosphine
CC(C)(C)P(c1c(cccc1OC)OC)C(C)(C)C
InChI=1S/C16H27O2P/c1-15(2,3)19(16(4,5)6)14-12(17-7)10-9-11-13(14)18-8/h9-11H,1-8H3
GGOBXKHWBGBCHN-UHFFFAOYSA-N
CSID:11226077, http://www.chemspider.com/Chemical-Structure.11226077.html (accessed 03:53, Jul 6, 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) = 5.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 321.71 (Adapted Stein & Brown method) Melting Pt (deg C): 92.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000136 (Modified Grain method) Subcooled liquid VP: 0.000612 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): 0.3285 log Kow used: 5.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.55418 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.61E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.538E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.47 (KowWin est) Log Kaw used: -4.568 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.038 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5091 Biowin2 (Non-Linear Model) : 0.5123 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0347 (months ) Biowin4 (Primary Survey Model) : 3.2877 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4257 Biowin6 (MITI Non-Linear Model): 0.1589 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3992 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): 0.0816 Pa (0.000612 mm Hg) Log Koa (Koawin est ): 10.038 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.68E-005 Octanol/air (Koa) model: 0.00268 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00133 Mackay model : 0.00293 Octanol/air (Koa) model: 0.177 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 202.6629 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.633 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00213 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8377 Log Koc: 3.923 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 = 3.515 (BCF = 3272) log Kow used: 5.47 (estimated) Volatilization from Water: Henry LC: 6.61E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1490 hours (62.09 days) Half-Life from Model Lake : 1.64E+004 hours (683.2 days) Removal In Wastewater Treatment: Total removal: 87.89 percent Total biodegradation: 0.74 percent Total sludge adsorption: 87.15 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 0.0209 1.27 1000 Water 5.63 1.44e+003 1000 Soil 48.8 2.88e+003 1000 Sediment 45.5 1.3e+004 0 Persistence Time: 2.85e+003 hr
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