Try beta.chemspider
Adamantan-1-ylphosphine
PC13CC2CC(CC(C1)C2)C3
InChI=1S/C10H17P/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
PFQUNTMOWWJEPG-UHFFFAOYSA-N
CSID:9943637, http://www.chemspider.com/Chemical-Structure.9943637.html (accessed 16:32, Jul 8, 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) = 5.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 85.99 (Adapted Stein & Brown method) Melting Pt (deg C): 19.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 67.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.5209 log Kow used: 5.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00071757 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]: 2.885E+001 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) : -1.1718 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.7062 (recalcitrant) Biowin4 (Primary Survey Model) : 2.0706 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8879 Biowin6 (MITI Non-Linear Model): 0.8401 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.5062 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): 8.72E+003 Pa (65.4 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.44E-010 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.24E-008 Mackay model : 2.75E-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): 2E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2553 Log Koc: 3.407 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 = 3.881 (BCF = 7599) log Kow used: 5.95 (estimated) Volatilization from Water: Henry LC: 28.9 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.324 hours Half-Life from Model Lake : 123.2 hours (5.133 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.99 percent Total biodegradation: 0.17 percent Total sludge adsorption: 58.31 percent Total to Air: 41.51 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.9 1e+005 1000 Water 3.14 4.32e+003 1000 Soil 0.923 8.64e+003 1000 Sediment 93 3.89e+004 0 Persistence Time: 2.76e+003 hr
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