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Methyl hexyl[2-(hexylamino)ethyl]carbamate
CCCCCCNCCN(CCCCCC)C(=O)OC
InChI=1S/C16H34N2O2/c1-4-6-8-10-12-17-13-15-18(16(19)20-3)14-11-9-7-5-2/h17H,4-15H2,1-3H3
LOTBYPQQWICYBB-UHFFFAOYSA-N
CSID:17333453, http://www.chemspider.com/Chemical-Structure.17333453.html (accessed 08:36, Jun 16, 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) = 4.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 347.15 (Adapted Stein & Brown method) Melting Pt (deg C): 106.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.44E-005 (Modified Grain method) Subcooled liquid VP: 0.000154 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): 12.84 log Kow used: 4.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20.767 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.73E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.163E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.76 (KowWin est) Log Kaw used: -7.400 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.160 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0614 Biowin2 (Non-Linear Model) : 0.9914 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1405 (weeks ) Biowin4 (Primary Survey Model) : 4.2095 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4440 Biowin6 (MITI Non-Linear Model): 0.4019 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4511 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): 0.0205 Pa (0.000154 mm Hg) Log Koa (Koawin est ): 12.160 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000146 Octanol/air (Koa) model: 0.355 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00525 Mackay model : 0.0116 Octanol/air (Koa) model: 0.966 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 116.0636 E-12 cm3/molecule-sec Half-Life = 0.092 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.106 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0084 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.948E+004 Log Koc: 4.290 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.012E-014 L/mol-sec Kb Half-Life at pH 8: 7.291E+011 years Kb Half-Life at pH 7: 7.291E+012 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.967 (BCF = 92.68) log Kow used: 4.76 (estimated) Volatilization from Water: Henry LC: 9.73E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.018E+006 hours (4.243E+004 days) Half-Life from Model Lake : 1.111E+007 hours (4.629E+005 days) Removal In Wastewater Treatment: Total removal: 68.67 percent Total biodegradation: 0.61 percent Total sludge adsorption: 68.06 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 0.0144 2.21 1000 Water 14.4 360 1000 Soil 75.9 720 1000 Sediment 9.75 3.24e+003 0 Persistence Time: 820 hr
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