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CAS Number: 136-26-5
SMILES : O=C(N(CCO)CCO)CCCCCCCCC
CHEM : Decanamide, N,N-bis(2-hydroxyethyl)-
MOL FOR: C14 H29 N1 O3
MOL WT : 259.39
------------------------------ 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) = 1.90
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 407.43 (Adapted Stein & Brown method)
Melting Pt (deg C): 145.77 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.76E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 3.68E-007 (Modified Grain method)
Subcooled liquid VP: 4.63E-008 mm Hg (25 deg C, Mod-Grain method)
: 6.17E-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): 497.3
log Kow used: 1.90 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6635.2 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.23E-012 atm-m3/mole (1.24E-007 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: 1.894E-012 atm-m3/mole (1.919E-007 Pa-m3/mole)
VP: 2.76E-009 mm Hg (source: MPBPVP)
WS: 497 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.90 (KowWin est)
Log Kaw used: -10.299 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.199
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.2601
Biowin2 (Non-Linear Model) : 0.9978
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1900 (weeks )
Biowin4 (Primary Survey Model) : 4.2069 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.9828
Biowin6 (MITI Non-Linear Model): 0.9571
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4483
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): 6.17E-006 Pa (4.63E-008 mm Hg)
Log Koa (Koawin est ): 12.199
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.486
Octanol/air (Koa) model: 0.388
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.946
Mackay model : 0.975
Octanol/air (Koa) model: 0.969
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 46.4654 E-12 cm3/molecule-sec
Half-Life = 0.230 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.762 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.961 (Junge-Pankow, Mackay avg)
0.969 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 11.9 L/kg (MCI method)
Log Koc: 1.076 (MCI method)
Koc : 12.76 L/kg (Kow method)
Log Koc: 1.106 (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 = 0.922 (BCF = 8.365 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.7663 days (HL = 0.01713 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.512 (BCF = 3.252)
Log BAF Arnot-Gobas method (upper trophic) = 0.512 (BAF = 3.252)
log Kow used: 1.90 (estimated)
Volatilization from Water:
Henry LC: 1.23E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 7.666E+008 hours (3.194E+007 days)
Half-Life from Model Lake : 8.363E+009 hours (3.485E+008 days)
Removal In Wastewater Treatment:
Total removal: 2.16 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.07 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 0.000565 5.52 1000
Water 29.6 360 1000
Soil 70.3 720 1000
Sediment 0.069 3.24e+003 0
Persistence Time: 648 hr