Try beta.chemspider
3-Amino-1-propanol
C(CN)CO
InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
WUGQZFFCHPXWKQ-UHFFFAOYSA-N
CSID:8733, http://www.chemspider.com/Chemical-Structure.8733.html (accessed 03:45, Apr 26, 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) = -1.12 Log Kow (Exper. database match) = -1.12 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 151.48 (Adapted Stein & Brown method) Melting Pt (deg C): -15.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.156 (Mean VP of Antoine & Grain methods) MP (exp database): 11 deg C BP (exp database): 187.5 deg C VP (exp database): 7.71E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -1.12 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.88E-010 atm-m3/mole Group Method: 1.41E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.542E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.12 (exp database) Log Kaw used: -7.700 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.580 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0243 Biowin2 (Non-Linear Model) : 0.9848 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2176 (weeks ) Biowin4 (Primary Survey Model) : 3.9121 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8314 Biowin6 (MITI Non-Linear Model): 0.9141 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.2241 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): 10.3 Pa (0.0771 mm Hg) Log Koa (Koawin est ): 6.580 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.92E-007 Octanol/air (Koa) model: 9.33E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.05E-005 Mackay model : 2.33E-005 Octanol/air (Koa) model: 7.47E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.2579 E-12 cm3/molecule-sec Half-Life = 0.287 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.445 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.69E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.835 Log Koc: 0.264 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: -1.12 (expkow database) Volatilization from Water: Henry LC: 1.41E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.599E+006 hours (1.499E+005 days) Half-Life from Model Lake : 3.926E+007 hours (1.636E+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 0.00331 6.89 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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