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CAS Number: 283159-90-0
SMILES : CLc1ccc(cc1)C(NC(=O)C(NC(=O)OC(C)C)C(C)C)CC(=O)OC
CHEM :
MOL FOR: C19 H27 CL1 N2 O5
MOL WT : 398.89
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 2.97
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 481.57 (Adapted Stein & Brown method)
Melting Pt (deg C): 186.15 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.66E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 2.21E-007 (Modified Grain method)
Subcooled liquid VP: 8E-008 mm Hg (25 deg C, Mod-Grain method)
: 1.07E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 9.004
log Kow used: 2.97 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 160.36 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Amides
Carbamate Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.14E-013 atm-m3/mole (7.24E-008 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: 9.676E-011 atm-m3/mole (9.805E-006 Pa-m3/mole)
VP: 1.66E-009 mm Hg (source: MPBPVP)
WS: 9 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.97 (KowWin est)
Log Kaw used: -10.535 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 13.505
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8391
Biowin2 (Non-Linear Model) : 0.9573
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1504 (months )
Biowin4 (Primary Survey Model) : 3.7349 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.1189
Biowin6 (MITI Non-Linear Model): 0.0111
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.1803
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): 1.07E-005 Pa (8E-008 mm Hg)
Log Koa (Koawin est ): 13.505
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.281
Octanol/air (Koa) model: 7.85
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.91
Mackay model : 0.957
Octanol/air (Koa) model: 0.998
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 51.1772 E-12 cm3/molecule-sec
Half-Life = 0.209 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.508 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.934 (Junge-Pankow, Mackay avg)
0.998 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2987 L/kg (MCI method)
Log Koc: 3.475 (MCI method)
Koc : 235.7 L/kg (Kow method)
Log Koc: 2.372 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.784E-002 L/mol-sec
Kb Half-Life at pH 8: 1.231 years
Kb Half-Life at pH 7: 12.310 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.628 (BCF = 42.49 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.5500 days (HL = 0.002818 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.638 (BCF = 4.344)
Log BAF Arnot-Gobas method (upper trophic) = 0.638 (BAF = 4.344)
log Kow used: 2.97 (estimated)
Volatilization from Water:
Henry LC: 7.14E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.638E+009 hours (6.824E+007 days)
Half-Life from Model Lake : 1.787E+010 hours (7.444E+008 days)
Removal In Wastewater Treatment:
Total removal: 5.44 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 5.32 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 4.98e-005 5.02 1000
Water 8.67 1.44e+003 1000
Soil 89.5 2.88e+003 1000
Sediment 1.85 1.3e+004 0
Persistence Time: 2.9e+003 hr