Try beta.chemspider
14-Amino-1-tetradecanol
C(CCCCCCCO)CCCCCCN
InChI=1S/C14H31NO/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h16H,1-15H2
FAGQNUXPKGWBBI-UHFFFAOYSA-N
CSID:13789587, http://www.chemspider.com/Chemical-Structure.13789587.html (accessed 00:33, May 16, 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) = 4.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 338.84 (Adapted Stein & Brown method) Melting Pt (deg C): 101.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.96E-006 (Modified Grain method) Subcooled liquid VP: 1.09E-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): 68.95 log Kow used: 4.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 45.542 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.10E-008 atm-m3/mole Group Method: 6.29E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.581E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.28 (KowWin est) Log Kaw used: -6.347 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.627 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9509 Biowin2 (Non-Linear Model) : 0.8786 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8766 (weeks ) Biowin4 (Primary Survey Model) : 3.6895 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9159 Biowin6 (MITI Non-Linear Model): 0.9331 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.5100 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00145 Pa (1.09E-005 mm Hg) Log Koa (Koawin est ): 10.627 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00206 Octanol/air (Koa) model: 0.0104 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0694 Mackay model : 0.142 Octanol/air (Koa) model: 0.454 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 52.8015 E-12 cm3/molecule-sec Half-Life = 0.203 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.431 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.106 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1542 Log Koc: 3.188 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 = 1.596 (BCF = 39.48) log Kow used: 4.28 (estimated) Volatilization from Water: Henry LC: 6.29E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.41E+005 hours (5874 days) Half-Life from Model Lake : 1.538E+006 hours (6.409E+004 days) Removal In Wastewater Treatment: Total removal: 44.19 percent Total biodegradation: 0.43 percent Total sludge adsorption: 43.76 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 0.09 4.86 1000 Water 16.8 360 1000 Soil 79.2 720 1000 Sediment 3.95 3.24e+003 0 Persistence Time: 714 hr
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