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CAS Number: 14433-76-2
SMILES : O=C(N(C)C)CCCCCCCCC
CHEM : Decanamide, N,N-dimethyl-
MOL FOR: C12 H25 N1 O1
MOL WT : 199.34
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 3.44
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 289.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 60.83 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00157 (Modified Grain method)
VP (Pa, 25 deg C) : 0.209 (Modified Grain method)
Subcooled liquid VP: 0.00337 mm Hg (25 deg C, Mod-Grain method)
: 0.45 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 50.51
log Kow used: 3.44 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 102.46 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.20E-007 atm-m3/mole (5.27E-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: 8.153E-006 atm-m3/mole (8.261E-001 Pa-m3/mole)
VP: 0.00157 mm Hg (source: MPBPVP)
WS: 50.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.44 (KowWin est)
Log Kaw used: -4.672 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.112
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9712
Biowin2 (Non-Linear Model) : 0.9911
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0028 (weeks )
Biowin4 (Primary Survey Model) : 4.0346 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6423
Biowin6 (MITI Non-Linear Model): 0.7597
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0803
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): 0.449 Pa (0.00337 mm Hg)
Log Koa (Koawin est ): 8.112
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.68E-006
Octanol/air (Koa) model: 3.18E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000241
Mackay model : 0.000534
Octanol/air (Koa) model: 0.00254
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 29.8386 E-12 cm3/molecule-sec
Half-Life = 0.358 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.302 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000387 (Junge-Pankow, Mackay avg)
0.00254 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 425.9 L/kg (MCI method)
Log Koc: 2.629 (MCI method)
Koc : 603.3 L/kg (Kow method)
Log Koc: 2.781 (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 = 1.939 (BCF = 86.94 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.6221 days (HL = 0.2387 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.874 (BCF = 74.74)
Log BAF Arnot-Gobas method (upper trophic) = 1.874 (BAF = 74.74)
log Kow used: 3.44 (estimated)
Volatilization from Water:
Henry LC: 5.2E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1591 hours (66.3 days)
Half-Life from Model Lake : 1.748E+004 hours (728.2 days)
Removal In Wastewater Treatment:
Total removal: 11.76 percent
Total biodegradation: 0.17 percent
Total sludge adsorption: 11.56 percent
Total to Air: 0.03 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.733 8.6 1000
Water 24.7 360 1000
Soil 74.1 720 1000
Sediment 0.426 3.24e+003 0
Persistence Time: 476 hr