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CAS Num: 038446-21-8
SMILES : CCOC(=O)c1c(NCC)cccc1
CHEM : Benzoic acid, 2-(ethylamino)-, ethyl ester
MOL FOR: C11 H15 N1 O2
MOL WT : 193.25
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 3.79
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 283.06 (Adapted Stein & Brown method)
Melting Pt (deg C): 63.06 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00211 (Modified Grain method)
VP (Pa, 25 deg C) : 0.281 (Modified Grain method)
Subcooled liquid VP: 0.00477 mm Hg (25 deg C, Mod-Grain method)
: 0.637 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 27.22
log Kow used: 3.79 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 293.7 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.75E-008 atm-m3/mole (4.81E-003 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.971E-005 atm-m3/mole (1.997E+000 Pa-m3/mole)
VP: 0.00211 mm Hg (source: MPBPVP)
WS: 27.2 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.79 (KowWin est)
Log Kaw used: -5.712 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.502
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5960
Biowin2 (Non-Linear Model) : 0.9196
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7774 (weeks )
Biowin4 (Primary Survey Model) : 3.6895 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4558
Biowin6 (MITI Non-Linear Model): 0.3882
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2412
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): 0.636 Pa (0.00477 mm Hg)
Log Koa (Koawin est ): 9.502
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.72E-006
Octanol/air (Koa) model: 0.00078
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00017
Mackay model : 0.000377
Octanol/air (Koa) model: 0.0587
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 24.3050 E-12 cm3/molecule-sec
Half-Life = 0.440 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.281 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000274 (Junge-Pankow, Mackay avg)
0.0587 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 128.2 L/kg (MCI method)
Log Koc: 2.108 (MCI method)
Koc : 817.5 L/kg (Kow method)
Log Koc: 2.912 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.776E-002 L/mol-sec
Kb Half-Life at pH 8: 212.462 days
Kb Half-Life at pH 7: 5.817 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.170 (BCF = 148.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.7396 days (HL = 0.1821 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.842 (BCF = 69.46)
Log BAF Arnot-Gobas method (upper trophic) = 1.842 (BAF = 69.46)
log Kow used: 3.79 (estimated)
Volatilization from Water:
Henry LC: 4.75E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.714E+004 hours (714 days)
Half-Life from Model Lake : 1.871E+005 hours (7794 days)
Removal In Wastewater Treatment:
Total removal: 21.48 percent
Total biodegradation: 0.25 percent
Total sludge adsorption: 21.22 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 0.452 10.6 1000
Water 22.7 360 1000
Soil 76.7 720 1000
Sediment 0.157 3.24e+003 0
Persistence Time: 573 hr