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CAS Number: 68425-43-4
SMILES : CCCCCCCCCCCC(=O)NCCCN(H)(OC(=O)CC)(C)C
CHEM : Amides, coco, N-[3-(dimethylamino)propyl], propionates
MOL FOR: C20 H42 N2 O3
MOL WT : 358.57
------------------------------ 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) = 3.71
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 617.58 (Adapted Stein & Brown method)
Melting Pt (deg C): 267.52 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.57E-014 (Modified Grain method)
VP (Pa, 25 deg C) : 7.42E-012 (Modified Grain method)
Subcooled liquid VP: 2.56E-011 mm Hg (25 deg C, Mod-Grain method)
: 3.41E-009 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 3.742
log Kow used: 3.71 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.22179 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.08E-019 atm-m3/mole (2.10E-014 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: 7.023E-015 atm-m3/mole (7.116E-010 Pa-m3/mole)
VP: 5.57E-014 mm Hg (source: MPBPVP)
WS: 3.74 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.71 (KowWin est)
Log Kaw used: -17.070 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 20.780
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8954
Biowin2 (Non-Linear Model) : 0.9207
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6509 (weeks-months)
Biowin4 (Primary Survey Model) : 3.8049 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4562
Biowin6 (MITI Non-Linear Model): 0.3557
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.4417
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): 3.41E-009 Pa (2.56E-011 mm Hg)
Log Koa (Koawin est ): 20.780
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 879
Octanol/air (Koa) model: 1.48E+008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 41.8431 E-12 cm3/molecule-sec
Half-Life = 0.256 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.067 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2112 L/kg (MCI method)
Log Koc: 3.325 (MCI method)
Koc : 453.9 L/kg (Kow method)
Log Koc: 2.657 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.145E+000 L/mol-sec
Kb Half-Life at pH 8: 1.935 days
Kb Half-Life at pH 7: 19.355 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.850 (BCF = 70.79 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5588 days (HL = 0.2762 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.983 (BCF = 96.16)
Log BAF Arnot-Gobas method (upper trophic) = 1.983 (BAF = 96.16)
log Kow used: 3.71 (estimated)
Volatilization from Water:
Henry LC: 2.08E-019 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 5.33E+015 hours (2.221E+014 days)
Half-Life from Model Lake : 5.815E+016 hours (2.423E+015 days)
Removal In Wastewater Treatment:
Total removal: 18.76 percent
Total biodegradation: 0.23 percent
Total sludge adsorption: 18.53 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 9.85e-008 6.13 1000
Water 11.3 900 1000
Soil 87.3 1.8e+003 1000
Sediment 1.35 8.1e+003 0
Persistence Time: 1.86e+003 hr