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CAS Number: 13434-12-3
SMILES : CC(C)CCNC(=O)C
CHEM :
MOL FOR: C7 H15 N1 O1
MOL WT : 129.20
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 1.19
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 255.31 (Adapted Stein & Brown method)
Melting Pt (deg C): 55.02 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0107 (Modified Grain method)
VP (Pa, 25 deg C) : 1.42 (Modified Grain method)
Subcooled liquid VP: 0.0202 mm Hg (25 deg C, Mod-Grain method)
: 2.7 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 8839
log Kow used: 1.19 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 48664 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.63E-008 atm-m3/mole (7.73E-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: 2.058E-007 atm-m3/mole (2.085E-002 Pa-m3/mole)
VP: 0.0107 mm Hg (source: MPBPVP)
WS: 8.84E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.19 (KowWin est)
Log Kaw used: -5.506 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.696
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8962
Biowin2 (Non-Linear Model) : 0.9795
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8594 (weeks )
Biowin4 (Primary Survey Model) : 3.8668 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5038
Biowin6 (MITI Non-Linear Model): 0.6222
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0844
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): 2.69 Pa (0.0202 mm Hg)
Log Koa (Koawin est ): 6.696
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.11E-006
Octanol/air (Koa) model: 1.22E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.02E-005
Mackay model : 8.91E-005
Octanol/air (Koa) model: 9.75E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 14.4460 E-12 cm3/molecule-sec
Half-Life = 0.740 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 8.885 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
6.47E-005 (Junge-Pankow, Mackay avg)
9.75E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 32.37 L/kg (MCI method)
Log Koc: 1.510 (MCI method)
Koc : 36.12 L/kg (Kow method)
Log Koc: 1.558 (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 = 0.455 (BCF = 2.853 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.5040 days (HL = 0.03134 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.247 (BCF = 1.764)
Log BAF Arnot-Gobas method (upper trophic) = 0.247 (BAF = 1.764)
log Kow used: 1.19 (estimated)
Volatilization from Water:
Henry LC: 7.63E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 8723 hours (363.5 days)
Half-Life from Model Lake : 9.526E+004 hours (3969 days)
Removal In Wastewater Treatment:
Total removal: 1.91 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.82 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 0.781 17.8 1000
Water 28.1 360 1000
Soil 71 720 1000
Sediment 0.0894 3.24e+003 0
Persistence Time: 529 hr