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CAS Number: 68489-14-5
SMILES : CCOC(=O)CNC(=O)C1CC(CCC1C(C)C)C
CHEM :
MOL FOR: C15 H27 N1 O3
MOL WT : 269.39
------------------------------ 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) = 3.85
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 390.25 (Adapted Stein & Brown method)
Melting Pt (deg C): 142.06 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.39E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000125 (Modified Grain method)
Subcooled liquid VP: 1.43E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00191 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 9.51
log Kow used: 3.85 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 481.63 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.74E-009 atm-m3/mole (8.86E-004 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: 3.500E-008 atm-m3/mole (3.546E-003 Pa-m3/mole)
VP: 9.39E-007 mm Hg (source: MPBPVP)
WS: 9.51 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.85 (KowWin est)
Log Kaw used: -6.447 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.297
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0036
Biowin2 (Non-Linear Model) : 0.9974
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6899 (weeks-months)
Biowin4 (Primary Survey Model) : 3.8935 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5274
Biowin6 (MITI Non-Linear Model): 0.3184
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2338
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): 0.00191 Pa (1.43E-005 mm Hg)
Log Koa (Koawin est ): 10.297
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00157
Octanol/air (Koa) model: 0.00486
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0538
Mackay model : 0.112
Octanol/air (Koa) model: 0.28
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 35.1262 E-12 cm3/molecule-sec
Half-Life = 0.305 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.654 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0828 (Junge-Pankow, Mackay avg)
0.28 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 535.6 L/kg (MCI method)
Log Koc: 2.729 (MCI method)
Koc : 919.3 L/kg (Kow method)
Log Koc: 2.963 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.094E-001 L/mol-sec
Kb Half-Life at pH 8: 38.307 days
Kb Half-Life at pH 7: 1.049 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.207 (BCF = 160.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.2365 days (HL = 0.05801 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.390 (BCF = 24.55)
Log BAF Arnot-Gobas method (upper trophic) = 1.390 (BAF = 24.55)
log Kow used: 3.85 (estimated)
Volatilization from Water:
Henry LC: 8.74E-009 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.1E+005 hours (4581 days)
Half-Life from Model Lake : 1.2E+006 hours (4.998E+004 days)
Removal In Wastewater Treatment:
Total removal: 23.72 percent
Total biodegradation: 0.27 percent
Total sludge adsorption: 23.45 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 0.0567 7.31 1000
Water 13.7 900 1000
Soil 85.9 1.8e+003 1000
Sediment 0.404 8.1e+003 0
Persistence Time: 1.58e+003 hr