1-[Butyl(nitro)amino]butyl acetate
CCCCN(C(CCC)OC(=O)C)[N+](=O)[O-]
InChI=1S/C10H20N2O4/c1-4-6-8-11(12(14)15)10(7-5-2)16-9(3)13/h10H,4-8H2,1-3H3
NAZZCYLFEVIJIK-UHFFFAOYSA-N
CSID:109618, http://www.chemspider.com/Chemical-Structure.109618.html (accessed 10:52, Mar 29, 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) = 2.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 298.99 (Adapted Stein & Brown method) Melting Pt (deg C): 84.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00055 (Modified Grain method) Subcooled liquid VP: 0.00206 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): 241.8 log Kow used: 2.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9503.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.31E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.952E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.44 (KowWin est) Log Kaw used: -4.469 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.909 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9196 Biowin2 (Non-Linear Model) : 0.9964 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1244 (weeks ) Biowin4 (Primary Survey Model) : 4.0106 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5625 Biowin6 (MITI Non-Linear Model): 0.5920 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4156 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): 0.275 Pa (0.00206 mm Hg) Log Koa (Koawin est ): 6.909 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.09E-005 Octanol/air (Koa) model: 1.99E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000394 Mackay model : 0.000873 Octanol/air (Koa) model: 0.000159 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 52.9911 E-12 cm3/molecule-sec Half-Life = 0.202 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.422 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000634 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 272.1 Log Koc: 2.435 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.004E-002 L/mol-sec Kb Half-Life at pH 8: 267.044 days Kb Half-Life at pH 7: 7.311 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.182 (BCF = 15.21) log Kow used: 2.44 (estimated) Volatilization from Water: Henry LC: 8.31E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1075 hours (44.81 days) Half-Life from Model Lake : 1.186E+004 hours (494.1 days) Removal In Wastewater Treatment: Total removal: 2.98 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.83 percent Total to Air: 0.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.486 4.84 1000 Water 27.6 360 1000 Soil 71.7 720 1000 Sediment 0.175 3.24e+003 0 Persistence Time: 446 hr
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