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CAS Number: 37673-27-1
SMILES : N1C(=O)CCC1C(=O)OCCCCCCCCCCCCCC
CHEM :
MOL FOR: C19 H35 N1 O3
MOL WT : 325.50
------------------------------ 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) = 6.03
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 457.28 (Adapted Stein & Brown method)
Melting Pt (deg C): 186.62 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.62E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 8.83E-007 (Modified Grain method)
Subcooled liquid VP: 3.24E-007 mm Hg (25 deg C, Mod-Grain method)
: 4.32E-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): 0.06109
log Kow used: 6.03 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.54687 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.72E-008 atm-m3/mole (2.75E-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: 4.641E-008 atm-m3/mole (4.703E-003 Pa-m3/mole)
VP: 6.62E-009 mm Hg (source: MPBPVP)
WS: 0.0611 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.03 (KowWin est)
Log Kaw used: -5.954 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.984
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0853
Biowin2 (Non-Linear Model) : 0.9991
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8642 (weeks )
Biowin4 (Primary Survey Model) : 4.0816 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.9089
Biowin6 (MITI Non-Linear Model): 0.9174
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1801
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): 4.32E-005 Pa (3.24E-007 mm Hg)
Log Koa (Koawin est ): 11.984
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0694
Octanol/air (Koa) model: 0.237
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.715
Mackay model : 0.847
Octanol/air (Koa) model: 0.95
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 29.5577 E-12 cm3/molecule-sec
Half-Life = 0.362 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.342 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.781 (Junge-Pankow, Mackay avg)
0.95 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8316 L/kg (MCI method)
Log Koc: 3.920 (MCI method)
Koc : 1.477E+004 L/kg (Kow method)
Log Koc: 4.169 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 6.602E-004 L/mol-sec
Kb Half-Life at pH 8: 33.265 years
Kb Half-Life at pH 7: 332.653 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.274 (BCF = 187.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0742 days (HL = 0.08429 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.479 (BCF = 30.12)
Log BAF Arnot-Gobas method (upper trophic) = 1.479 (BAF = 30.13)
log Kow used: 6.03 (estimated)
Volatilization from Water:
Henry LC: 2.72E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.884E+004 hours (1618 days)
Half-Life from Model Lake : 4.238E+005 hours (1.766E+004 days)
Removal In Wastewater Treatment:
Total removal: 92.28 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 91.51 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 0.418 8.69 1000
Water 19.5 360 1000
Soil 75.5 720 1000
Sediment 4.62 3.24e+003 0
Persistence Time: 594 hr