This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 835913-39-8
SMILES : C1CC(=O)NC1C(=O)OCCBr
CHEM :
MOL FOR: C7 H10 Br1 N1 O3
MOL WT : 236.07
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 0.48
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 355.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 131.57 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 8.28E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0011 (Modified Grain method)
Subcooled liquid VP: 9.69E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.0129 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.089e+004
log Kow used: 0.48 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.8115e+005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.04E-010 atm-m3/mole (1.06E-005 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: 2.362E-010 atm-m3/mole (2.393E-005 Pa-m3/mole)
VP: 8.28E-006 mm Hg (source: MPBPVP)
WS: 1.09E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.48 (KowWin est)
Log Kaw used: -8.371 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.851
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9733
Biowin2 (Non-Linear Model) : 0.8791
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7924 (weeks )
Biowin4 (Primary Survey Model) : 3.9769 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7277
Biowin6 (MITI Non-Linear Model): 0.4229
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6505
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): 0.0129 Pa (9.69E-005 mm Hg)
Log Koa (Koawin est ): 8.851
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000232
Octanol/air (Koa) model: 0.000174
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00832
Mackay model : 0.0182
Octanol/air (Koa) model: 0.0137
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 11.8690 E-12 cm3/molecule-sec
Half-Life = 0.901 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 10.814 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0133 (Junge-Pankow, Mackay avg)
0.0137 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 11.29 L/kg (MCI method)
Log Koc: 1.053 (MCI method)
Koc : 12.57 L/kg (Kow method)
Log Koc: 1.099 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.213E-002 L/mol-sec
Kb Half-Life at pH 8: 1.810 years
Kb Half-Life at pH 7: 18.101 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.8225 days (HL = 0.001505 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.022 (BCF = 0.9508)
Log BAF Arnot-Gobas method (upper trophic) = -0.022 (BAF = 0.9508)
log Kow used: 0.48 (estimated)
Volatilization from Water:
Henry LC: 1.04E-010 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 8.65E+006 hours (3.604E+005 days)
Half-Life from Model Lake : 9.436E+007 hours (3.932E+006 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 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 0.00222 21.6 1000
Water 29.9 360 1000
Soil 70 720 1000
Sediment 0.0689 3.24e+003 0
Persistence Time: 645 hr