Try beta.chemspider
8-Aminooctanoic acid
C(CCCC(=O)O)CCCN
InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)
UQXNEWQGGVUVQA-UHFFFAOYSA-N
CSID:59474, http://www.chemspider.com/Chemical-Structure.59474.html (accessed 23:30, Apr 25, 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) = -1.64 Log Kow (Exper. database match) = -2.55 Exper. Ref: Tsai,RS et al. (1991) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 445.30 (Adapted Stein & Brown method) Melting Pt (deg C): 298.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.08E-008 (Modified Grain method) MP (exp database): 194 dec deg C Subcooled liquid VP: 6.43E-007 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): 8.842e+004 log Kow used: -2.55 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 68944 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.08E-010 atm-m3/mole Group Method: 4.77E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.559E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.55 (exp database) Log Kaw used: -7.900 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.350 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8983 Biowin2 (Non-Linear Model) : 0.9242 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2363 (weeks ) Biowin4 (Primary Survey Model) : 4.0469 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7988 Biowin6 (MITI Non-Linear Model): 0.8564 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.3821 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): 8.57E-005 Pa (6.43E-007 mm Hg) Log Koa (Koawin est ): 5.350 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.035 Octanol/air (Koa) model: 5.5E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.558 Mackay model : 0.737 Octanol/air (Koa) model: 4.4E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.1309 E-12 cm3/molecule-sec Half-Life = 0.267 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.198 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.648 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.5 Log Koc: 1.550 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 = 0.500 (BCF = 3.162) log Kow used: -2.55 (expkow database) Volatilization from Water: Henry LC: 4.77E-011 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.549E+007 hours (6.454E+005 days) Half-Life from Model Lake : 1.69E+008 hours (7.04E+006 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.0013 6.4 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0714 3.24e+003 0 Persistence Time: 578 hr
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