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CAS Num: 051115-67-4
SMILES : CC(C)C(C)(C(=O)NC)C(C)C
CHEM :
MOL FOR: C10 H21 N1 O1
MOL WT : 171.29
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 2.48
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 278.50 (Adapted Stein & Brown method)
Melting Pt (deg C): 71.12 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00287 (Modified Grain method)
VP (Pa, 25 deg C) : 0.382 (Modified Grain method)
MP (exp database): 60 deg C
BP (exp database): 84 @ 0.35 mm Hg deg C
Subcooled liquid VP: 0.00607 mm Hg (25 deg C, Mod-Grain method)
: 0.809 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 459.1
log Kow used: 2.48 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6516.3 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.78E-007 atm-m3/mole (1.81E-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: 1.409E-006 atm-m3/mole (1.428E-001 Pa-m3/mole)
VP: 0.00287 mm Hg (source: MPBPVP)
WS: 459 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.48 (KowWin est)
Log Kaw used: -5.138 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.618
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6922
Biowin2 (Non-Linear Model) : 0.8241
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5543 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6526 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2979
Biowin6 (MITI Non-Linear Model): 0.2284
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.8752
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): 0.809 Pa (0.00607 mm Hg)
Log Koa (Koawin est ): 7.618
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.71E-006
Octanol/air (Koa) model: 1.02E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000134
Mackay model : 0.000296
Octanol/air (Koa) model: 0.000814
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 22.3891 E-12 cm3/molecule-sec
Half-Life = 0.478 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.733 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000215 (Junge-Pankow, Mackay avg)
0.000814 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 143.8 L/kg (MCI method)
Log Koc: 2.158 (MCI method)
Koc : 186.8 L/kg (Kow method)
Log Koc: 2.271 (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 v3.00):
Log BCF from regression-based method = 1.306 (BCF = 20.21 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0185 days (HL = 0.09583 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.224 (BCF = 16.73)
Log BAF Arnot-Gobas method (upper trophic) = 1.224 (BAF = 16.73)
log Kow used: 2.48 (estimated)
Volatilization from Water:
Henry LC: 1.78E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4306 hours (179.4 days)
Half-Life from Model Lake : 4.709E+004 hours (1962 days)
Removal In Wastewater Treatment:
Total removal: 3.05 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.94 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.375 11.5 1000
Water 21 900 1000
Soil 78.5 1.8e+003 1000
Sediment 0.187 8.1e+003 0
Persistence Time: 1.07e+003 hr