Try beta.chemspider
1,1',1''-Phosphinetriyltripiperidine
C1CCN(CC1)P(N2CCCCC2)N3CCCCC3
InChI=1S/C15H30N3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H2
GEQBPMNDDHGGPJ-UHFFFAOYSA-N
CSID:87638, http://www.chemspider.com/Chemical-Structure.87638.html (accessed 03:19, Jun 15, 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) = 5.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 362.56 (Adapted Stein & Brown method) Melting Pt (deg C): 128.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.12E-006 (Modified Grain method) Subcooled liquid VP: 6.63E-005 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): 0.1756 log Kow used: 5.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.155 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.37E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.300E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.79 (KowWin est) Log Kaw used: -7.861 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.651 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6126 Biowin2 (Non-Linear Model) : 0.2659 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5729 (weeks-months) Biowin4 (Primary Survey Model) : 3.4389 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1649 Biowin6 (MITI Non-Linear Model): 0.1083 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9641 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): 0.00884 Pa (6.63E-005 mm Hg) Log Koa (Koawin est ): 13.651 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000339 Octanol/air (Koa) model: 11 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0121 Mackay model : 0.0264 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 76.8216 E-12 cm3/molecule-sec Half-Life = 0.139 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.671 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0193 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.993E+004 Log Koc: 4.903 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 = 3.755 (BCF = 5685) log Kow used: 5.79 (estimated) Volatilization from Water: Henry LC: 3.37E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.925E+006 hours (1.219E+005 days) Half-Life from Model Lake : 3.191E+007 hours (1.329E+006 days) Removal In Wastewater Treatment: Total removal: 91.01 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.25 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 0.00146 3.34 1000 Water 4.07 900 1000 Soil 52.3 1.8e+003 1000 Sediment 43.6 8.1e+003 0 Persistence Time: 3.1e+003 hr
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