Try beta.chemspider
9-Phosphabicyclo[3.3.1]nonane
C1CC2CCCC(C1)P2
InChI=1S/C8H15P/c1-3-7-5-2-6-8(4-1)9-7/h7-9H,1-6H2
QJCMAJXWIAFFED-UHFFFAOYSA-N
CSID:104699, http://www.chemspider.com/Chemical-Structure.104699.html (accessed 16:52, Jun 10, 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) = 7.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 63.07 (Adapted Stein & Brown method) Melting Pt (deg C): 8.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 174 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.06231 log Kow used: 7.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00097491 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.224E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.7916 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.1880 (recalcitrant) Biowin4 (Primary Survey Model) : 2.4151 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8301 Biowin6 (MITI Non-Linear Model): 0.8338 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8378 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): 2.28E+004 Pa (171 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.32E-010 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.75E-009 Mackay model : 1.05E-008 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.64E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 975.9 Log Koc: 2.989 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 = 4.584 (BCF = 3.833e+004) log Kow used: 7.17 (estimated) Volatilization from Water: Henry LC: 522 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.217 hours Half-Life from Model Lake : 113.3 hours (4.719 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.99 percent Total biodegradation: 0.18 percent Total sludge adsorption: 59.84 percent Total to Air: 39.97 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.13 1e+005 1000 Water 1.34 4.32e+003 1000 Soil 0.389 8.64e+003 1000 Sediment 97.1 3.89e+004 0 Persistence Time: 6.02e+003 hr
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