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CAS Number: 20545-92-0
SMILES : O=C(NCCO)CCCCCCCCC=C
CHEM : 10-Undecenamide, N-(2-hydroxyethyl)-
MOL FOR: C13 H25 N1 O2
MOL WT : 227.35
------------------------------ 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) = 2.61
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 392.02 (Adapted Stein & Brown method)
Melting Pt (deg C): 145.40 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.91E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 2.54E-006 (Modified Grain method)
Subcooled liquid VP: 3.17E-007 mm Hg (25 deg C, Mod-Grain method)
: 4.23E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 184.3
log Kow used: 2.61 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 770.13 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.14E-011 atm-m3/mole (1.15E-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: 3.100E-011 atm-m3/mole (3.141E-006 Pa-m3/mole)
VP: 1.91E-008 mm Hg (source: MPBPVP)
WS: 184 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.61 (KowWin est)
Log Kaw used: -9.332 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.942
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0082
Biowin2 (Non-Linear Model) : 0.9731
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8025 (weeks )
Biowin4 (Primary Survey Model) : 3.8546 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8363
Biowin6 (MITI Non-Linear Model): 0.9032
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4403
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): 4.23E-005 Pa (3.17E-007 mm Hg)
Log Koa (Koawin est ): 11.942
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.071
Octanol/air (Koa) model: 0.215
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.719
Mackay model : 0.85
Octanol/air (Koa) model: 0.945
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 54.2271 E-12 cm3/molecule-sec
Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.367 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
0.785 (Junge-Pankow, Mackay avg)
0.945 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 129.4 L/kg (MCI method)
Log Koc: 2.112 (MCI method)
Koc : 85.46 L/kg (Kow method)
Log Koc: 1.932 (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 = 1.391 (BCF = 24.63 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.4352 days (HL = 0.03672 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.030 (BCF = 10.7)
Log BAF Arnot-Gobas method (upper trophic) = 1.030 (BAF = 10.7)
log Kow used: 2.61 (estimated)
Volatilization from Water:
Henry LC: 1.14E-011 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 7.744E+007 hours (3.227E+006 days)
Half-Life from Model Lake : 8.448E+008 hours (3.52E+007 days)
Removal In Wastewater Treatment:
Total removal: 3.45 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 3.34 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 0.000832 3.92 1000
Water 18.7 360 1000
Soil 81.2 720 1000
Sediment 0.13 3.24e+003 0
Persistence Time: 752 hr