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Ethyl decyl(2-hydroxyethyl)carbamate
CCCCCCCCCCN(CCO)C(=O)OCC
InChI=1S/C15H31NO3/c1-3-5-6-7-8-9-10-11-12-16(13-14-17)15(18)19-4-2/h17H,3-14H2,1-2H3
LZIWNQJKYAXJJQ-UHFFFAOYSA-N
CSID:2769970, http://www.chemspider.com/Chemical-Structure.2769970.html (accessed 03:07, Jul 2, 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) = 4.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 357.30 (Adapted Stein & Brown method) Melting Pt (deg C): 108.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.93E-007 (Modified Grain method) Subcooled liquid VP: 3.22E-006 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): 3.698 log Kow used: 4.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12.133 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.57E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.796E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.30 (KowWin est) Log Kaw used: -8.193 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.493 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9641 Biowin2 (Non-Linear Model) : 0.9568 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0065 (weeks ) Biowin4 (Primary Survey Model) : 4.0454 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6102 Biowin6 (MITI Non-Linear Model): 0.7770 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8039 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): 0.000429 Pa (3.22E-006 mm Hg) Log Koa (Koawin est ): 12.493 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00699 Octanol/air (Koa) model: 0.764 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.202 Mackay model : 0.359 Octanol/air (Koa) model: 0.984 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 39.9511 E-12 cm3/molecule-sec Half-Life = 0.268 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.213 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.28 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 566 Log Koc: 2.753 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.607E-012 L/mol-sec Kb Half-Life at pH 8: 1.367E+010 years Kb Half-Life at pH 7: 1.367E+011 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.613 (BCF = 41.02) log Kow used: 4.30 (estimated) Volatilization from Water: Henry LC: 1.57E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.166E+006 hours (2.569E+005 days) Half-Life from Model Lake : 6.727E+007 hours (2.803E+006 days) Removal In Wastewater Treatment: Total removal: 45.27 percent Total biodegradation: 0.44 percent Total sludge adsorption: 44.83 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 0.00335 6.42 1000 Water 15.2 360 1000 Soil 81 720 1000 Sediment 3.75 3.24e+003 0 Persistence Time: 808 hr
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