Try beta.chemspider
Tris(4-chlorophenyl)phosphine
c1cc(ccc1P(c2ccc(cc2)Cl)c3ccc(cc3)Cl)Cl
InChI=1S/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
IQKSLJOIKWOGIZ-UHFFFAOYSA-N
CSID:64037, http://www.chemspider.com/Chemical-Structure.64037.html (accessed 00:13, May 3, 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) = 6.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 430.77 (Adapted Stein & Brown method) Melting Pt (deg C): 163.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.56E-008 (Modified Grain method) Subcooled liquid VP: 1.47E-006 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): 0.00573 log Kow used: 6.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0011988 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.20E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.668E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.95 (KowWin est) Log Kaw used: -6.425 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.375 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0262 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7714 (months ) Biowin4 (Primary Survey Model) : 2.8242 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2585 Biowin6 (MITI Non-Linear Model): 0.0007 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5159 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): 0.000196 Pa (1.47E-006 mm Hg) Log Koa (Koawin est ): 13.375 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0153 Octanol/air (Koa) model: 5.82 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.356 Mackay model : 0.55 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.1149 E-12 cm3/molecule-sec Half-Life = 2.599 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 31.192 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.453 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.889E+006 Log Koc: 6.276 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 = 4.655 (BCF = 4.518e+004) log Kow used: 6.95 (estimated) Volatilization from Water: Henry LC: 9.2E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.217E+005 hours (5070 days) Half-Life from Model Lake : 1.328E+006 hours (5.532E+004 days) Removal In Wastewater Treatment: Total removal: 93.82 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.04 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 0.0292 62.4 1000 Water 1.34 1.44e+003 1000 Soil 42.1 2.88e+003 1000 Sediment 56.5 1.3e+004 0 Persistence Time: 5.92e+003 hr
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