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CAS Number: 37673-37-3
SMILES : N1C(=O)CCC1C(=O)OCC(CCCCCCCC)CCCCCCCCCC
CHEM :
MOL FOR: C25 H47 N1 O3
MOL WT : 409.66
------------------------------ 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) = 8.91
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 519.91 (Adapted Stein & Brown method)
Melting Pt (deg C): 221.90 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.72E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 8.96E-009 (Modified Grain method)
Subcooled liquid VP: 8.58E-009 mm Hg (25 deg C, Mod-Grain method)
: 1.14E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 6.6e-005
log Kow used: 8.91 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00069166 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.49E-007 atm-m3/mole (1.51E-002 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: 5.488E-007 atm-m3/mole (5.561E-002 Pa-m3/mole)
VP: 6.72E-011 mm Hg (source: MPBPVP)
WS: 6.6E-005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.91 (KowWin est)
Log Kaw used: -5.215 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.125
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1537
Biowin2 (Non-Linear Model) : 0.9995
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9766 (weeks )
Biowin4 (Primary Survey Model) : 4.2292 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8059
Biowin6 (MITI Non-Linear Model): 0.8342
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2791
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): 1.14E-006 Pa (8.58E-009 mm Hg)
Log Koa (Koawin est ): 14.125
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.62
Octanol/air (Koa) model: 32.7
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.99
Mackay model : 0.995
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 38.7230 E-12 cm3/molecule-sec
Half-Life = 0.276 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.315 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.992 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.807E+005 L/kg (MCI method)
Log Koc: 5.448 (MCI method)
Koc : 5.785E+005 L/kg (Kow method)
Log Koc: 5.762 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 9.521E-004 L/mol-sec
Kb Half-Life at pH 8: 23.067 years
Kb Half-Life at pH 7: 230.670 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.593 (BCF = 391.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2223 days (HL = 0.5994 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.373 (BCF = 2.36)
Log BAF Arnot-Gobas method (upper trophic) = 0.538 (BAF = 3.455)
log Kow used: 8.91 (estimated)
Volatilization from Water:
Henry LC: 1.49E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 7955 hours (331.5 days)
Half-Life from Model Lake : 8.695E+004 hours (3623 days)
Removal In Wastewater Treatment:
Total removal: 94.03 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.25 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 0.419 6.63 1000
Water 20.8 360 1000
Soil 74.7 720 1000
Sediment 4.11 3.24e+003 0
Persistence Time: 550 hr