Try beta.chemspider
2-Amino-1-butanol
CCC(CO)N
InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3
JCBPETKZIGVZRE-UHFFFAOYSA-N
CSID:20788, http://www.chemspider.com/Chemical-Structure.20788.html (accessed 14:32, Apr 23, 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) = -0.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 160.15 (Adapted Stein & Brown method) Melting Pt (deg C): -14.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.272 (Mean VP of Antoine & Grain methods) MP (exp database): -2 deg C BP (exp database): 178 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -0.70 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L ( deg C) Exper. Ref: MERCK INDEX (1996) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: MERCK INDEX (1996) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.48E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.190E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.70 (KowWin est) Log Kaw used: -7.577 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.877 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0177 Biowin2 (Non-Linear Model) : 0.9815 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1866 (weeks ) Biowin4 (Primary Survey Model) : 3.8919 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6899 Biowin6 (MITI Non-Linear Model): 0.8101 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9527 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): 32.3 Pa (0.242 mm Hg) Log Koa (Koawin est ): 6.877 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.3E-008 Octanol/air (Koa) model: 1.85E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.36E-006 Mackay model : 7.44E-006 Octanol/air (Koa) model: 0.000148 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.7727 E-12 cm3/molecule-sec Half-Life = 0.199 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.387 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.4E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.973 Log Koc: 0.473 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: -0.70 (estimated) Volatilization from Water: Henry LC: 6.48E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.531E+005 hours (3.554E+004 days) Half-Life from Model Lake : 9.306E+006 hours (3.878E+005 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.0149 4.77 1000 Water 39.1 360 1000 Soil 60.8 720 1000 Sediment 0.0716 3.24e+003 0 Persistence Time: 571 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight