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CAS Number: 94689-36-8
SMILES : CN(CL)(C)(C)CC(O)COC(=O)CCCCCCCCCCCCCCC(C)C
CHEM :
MOL FOR: C24 H50 CL1 N1 O3
MOL WT : 436.12
------------------------------ 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) = 3.29
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 609.79 (Adapted Stein & Brown method)
Melting Pt (deg C): 263.89 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.74E-016 (Modified Grain method)
VP (Pa, 25 deg C) : 2.32E-014 (Modified Grain method)
Subcooled liquid VP: 7.21E-014 mm Hg (25 deg C, Mod-Grain method)
: 9.61E-012 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.842
log Kow used: 3.29 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00064582 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.96E-017 atm-m3/mole (6.04E-012 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: 3.513E-017 atm-m3/mole (3.560E-012 Pa-m3/mole)
VP: 1.74E-016 mm Hg (source: MPBPVP)
WS: 2.84 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.29 (KowWin est)
Log Kaw used: -14.613 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 17.903
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8728
Biowin2 (Non-Linear Model) : 0.8822
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5356 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5769 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6017
Biowin6 (MITI Non-Linear Model): 0.6011
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3893
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): 9.61E-012 Pa (7.21E-014 mm Hg)
Log Koa (Koawin est ): 17.903
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.12E+005
Octanol/air (Koa) model: 1.96E+005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 48.1756 E-12 cm3/molecule-sec
Half-Life = 0.222 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.664 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.408E+004 L/kg (MCI method)
Log Koc: 4.148 (MCI method)
Koc : 151.6 L/kg (Kow method)
Log Koc: 2.181 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.848E-002 L/mol-sec
Kb Half-Life at pH 8: 281.632 days
Kb Half-Life at pH 7: 7.711 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.850 (BCF = 70.79 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.2373 days (HL = 0.05791 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.343 (BCF = 22.03)
Log BAF Arnot-Gobas method (upper trophic) = 1.343 (BAF = 22.03)
log Kow used: 3.29 (estimated)
Volatilization from Water:
Henry LC: 5.96E-017 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.051E+013 hours (8.548E+011 days)
Half-Life from Model Lake : 2.238E+014 hours (9.325E+012 days)
Removal In Wastewater Treatment:
Total removal: 9.07 percent
Total biodegradation: 0.15 percent
Total sludge adsorption: 8.91 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 0.00858 5.33 1000
Water 10.1 900 1000
Soil 81.6 1.8e+003 1000
Sediment 8.26 8.1e+003 0
Persistence Time: 1.94e+003 hr