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CAS Number: 10525-14-1
SMILES : OC(C)CNC(=O)CCCCCCCCCCCCC
CHEM :
MOL FOR: C17 H35 N1 O2
MOL WT : 285.47
------------------------------ 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) = 4.64
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 428.55 (Adapted Stein & Brown method)
Melting Pt (deg C): 162.80 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.02E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 1.36E-007 (Modified Grain method)
Subcooled liquid VP: 2.66E-008 mm Hg (25 deg C, Mod-Grain method)
: 3.54E-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): 1.622
log Kow used: 4.64 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 11.138 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.74E-011 atm-m3/mole (4.80E-006 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: 2.362E-010 atm-m3/mole (2.393E-005 Pa-m3/mole)
VP: 1.02E-009 mm Hg (source: MPBPVP)
WS: 1.62 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.64 (KowWin est)
Log Kaw used: -8.713 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 13.353
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0889
Biowin2 (Non-Linear Model) : 0.9901
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9724 (weeks )
Biowin4 (Primary Survey Model) : 4.0398 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7432
Biowin6 (MITI Non-Linear Model): 0.8451
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0961
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): 3.55E-006 Pa (2.66E-008 mm Hg)
Log Koa (Koawin est ): 13.353
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.846
Octanol/air (Koa) model: 5.53
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.968
Mackay model : 0.985
Octanol/air (Koa) model: 0.998
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 38.2447 E-12 cm3/molecule-sec
Half-Life = 0.280 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.356 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.977 (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 : 1200 L/kg (MCI method)
Log Koc: 3.079 (MCI method)
Koc : 1134 L/kg (Kow method)
Log Koc: 3.055 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.355 (BCF = 22.63 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.8520 days (HL = 0.1406 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.775 (BCF = 59.52)
Log BAF Arnot-Gobas method (upper trophic) = 1.775 (BAF = 59.52)
log Kow used: 4.64 (estimated)
Volatilization from Water:
Henry LC: 4.74E-011 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.087E+007 hours (8.696E+005 days)
Half-Life from Model Lake : 2.277E+008 hours (9.486E+006 days)
Removal In Wastewater Treatment:
Total removal: 63.14 percent
Total biodegradation: 0.57 percent
Total sludge adsorption: 62.57 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 0.0302 6.71 1000
Water 16.6 360 1000
Soil 82.7 720 1000
Sediment 0.686 3.24e+003 0
Persistence Time: 759 hr