1-Amino-2-propanol
CC(CN)O
InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
HXKKHQJGJAFBHI-UHFFFAOYSA-N
CSID:3, http://www.chemspider.com/Chemical-Structure.3.html (accessed 11:57, Apr 19, 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) = 2.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 255.63 (Adapted Stein & Brown method) Melting Pt (deg C): 36.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0156 (Modified Grain method) Subcooled liquid VP: 0.0199 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): 215.7 log Kow used: 2.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 318.72 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Allylic/Vinyl Nitriles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.23E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.382E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.70 (KowWin est) Log Kaw used: -2.670 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.370 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9854 Biowin2 (Non-Linear Model) : 0.9963 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7959 (weeks ) Biowin4 (Primary Survey Model) : 3.5730 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4841 Biowin6 (MITI Non-Linear Model): 0.3311 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4804 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): 2.65 Pa (0.0199 mm Hg) Log Koa (Koawin est ): 5.370 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.13E-006 Octanol/air (Koa) model: 5.75E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.08E-005 Mackay model : 9.04E-005 Octanol/air (Koa) model: 4.6E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 103.5211 E-12 cm3/molecule-sec Half-Life = 0.103 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.240 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 63.000000 E-17 cm3/molecule-sec Half-Life = 0.018 Days (at 7E11 mol/cm3) Half-Life = 26.194 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 6.56E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 590.9 Log Koc: 2.772 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 = 1.376 (BCF = 23.75) log Kow used: 2.70 (estimated) Volatilization from Water: Henry LC: 5.23E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 14.72 hours Half-Life from Model Lake : 261.6 hours (10.9 days) Removal In Wastewater Treatment: Total removal: 6.41 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.64 percent Total to Air: 2.67 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0502 0.371 1000 Water 24.7 360 1000 Soil 75 720 1000 Sediment 0.24 3.24e+003 0 Persistence Time: 419 hr
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