Try beta.chemspider
[(Diethylamino)methyl]heptylphosphinic acid
CCCCCCCP(=O)(CN(CC)CC)O
InChI=1S/C12H28NO2P/c1-4-7-8-9-10-11-16(14,15)12-13(5-2)6-3/h4-12H2,1-3H3,(H,14,15)
LTIXMUAJTKENHQ-UHFFFAOYSA-N
CSID:2064310, http://www.chemspider.com/Chemical-Structure.2064310.html (accessed 14:43, May 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) = 2.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 355.15 (Adapted Stein & Brown method) Melting Pt (deg C): 84.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1E-006 (Modified Grain method) Subcooled liquid VP: 3.71E-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): 1748 log Kow used: 2.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 28488 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.35E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.877E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.51 (KowWin est) Log Kaw used: -8.418 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.928 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5320 Biowin2 (Non-Linear Model) : 0.2868 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6917 (weeks-months) Biowin4 (Primary Survey Model) : 3.4691 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3315 Biowin6 (MITI Non-Linear Model): 0.1696 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5613 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): 0.000495 Pa (3.71E-006 mm Hg) Log Koa (Koawin est ): 10.928 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00606 Octanol/air (Koa) model: 0.0208 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.18 Mackay model : 0.327 Octanol/air (Koa) model: 0.625 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 100.6503 E-12 cm3/molecule-sec Half-Life = 0.106 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.275 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.253 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 874.2 Log Koc: 2.942 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 = 1.232 (BCF = 17.08) log Kow used: 2.51 (estimated) Volatilization from Water: Henry LC: 9.35E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.888E+006 hours (4.12E+005 days) Half-Life from Model Lake : 1.079E+008 hours (4.494E+006 days) Removal In Wastewater Treatment: Total removal: 3.12 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.02 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 0.000945 2.55 1000 Water 16 900 1000 Soil 83.9 1.8e+003 1000 Sediment 0.133 8.1e+003 0 Persistence Time: 1.64e+003 hr
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