1-Decanamine
CCCCCCCCCCN
InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3
MHZGKXUYDGKKIU-UHFFFAOYSA-N
CSID:8576, http://www.chemspider.com/Chemical-Structure.8576.html (accessed 22:23, 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) = 3.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 218.32 (Adapted Stein & Brown method) Melting Pt (deg C): 13.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.128 (Mean VP of Antoine & Grain methods) MP (exp database): 17 deg C BP (exp database): 220.5 deg C VP (exp database): 1.00E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 422.9 log Kow used: 3.78 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 550 mg/L (25 deg C) Exper. Ref: CHRISTIE,AO & CRISP,DJ (1967) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 180.76 mg/L Wat Sol (Exper. database match) = 550.00 Exper. Ref: CHRISTIE,AO & CRISP,DJ (1967) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.70E-005 atm-m3/mole Group Method: 1.38E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.265E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.78 (KowWin est) Log Kaw used: -2.402 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.182 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9349 Biowin2 (Non-Linear Model) : 0.9765 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1743 (weeks ) Biowin4 (Primary Survey Model) : 3.9331 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7226 Biowin6 (MITI Non-Linear Model): 0.8299 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8500 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): 13.3 Pa (0.1 mm Hg) Log Koa (Koawin est ): 6.182 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.25E-007 Octanol/air (Koa) model: 3.73E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.13E-006 Mackay model : 1.8E-005 Octanol/air (Koa) model: 2.99E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.8915 E-12 cm3/molecule-sec Half-Life = 0.249 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.992 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.31E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2389 Log Koc: 3.378 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 = 2.212 (BCF = 162.8) log Kow used: 3.78 (estimated) Volatilization from Water: Henry LC: 0.000138 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.601 hours Half-Life from Model Lake : 177.2 hours (7.382 days) Removal In Wastewater Treatment: Total removal: 25.67 percent Total biodegradation: 0.24 percent Total sludge adsorption: 20.30 percent Total to Air: 5.13 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.75 5.99 1000 Water 19.9 360 1000 Soil 77.8 720 1000 Sediment 1.58 3.24e+003 0 Persistence Time: 439 hr
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