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CAS Number: 61790-64-5

SMILES : CCCCCCCCCCCC(=O)ON(H)(CCO)(CCO)CCO

CHEM : Fatty acids, coco, compds. with triethanolamine

MOL FOR: C18 H39 N1 O5

MOL WT : 349.52

------------------------------ 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) = 1.25

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 628.49 (Adapted Stein & Brown method)

Melting Pt (deg C): 272.62 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.74E-018 (Modified Grain method)

VP (Pa, 25 deg C) : 2.32E-016 (Modified Grain method)

Subcooled liquid VP: 9.27E-016 mm Hg (25 deg C, Mod-Grain method)

: 1.24E-013 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 534.8

log Kow used: 1.25 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 136.54 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 3.04E-020 atm-m3/mole (3.08E-015 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: 1.496E-021 atm-m3/mole (1.516E-016 Pa-m3/mole)

VP: 1.74E-018 mm Hg (source: MPBPVP)

WS: 535 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 1.25 (KowWin est)

Log Kaw used: -17.906 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 19.156

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1658

Biowin2 (Non-Linear Model) : 0.9624

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2050 (weeks )

Biowin4 (Primary Survey Model) : 4.0009 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9376

Biowin6 (MITI Non-Linear Model): 0.9305

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8152

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): 1.24E-013 Pa (9.27E-016 mm Hg)

Log Koa (Koawin est ): 19.156

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 2.43E+007

Octanol/air (Koa) model: 3.52E+006

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 = 57.5113 E-12 cm3/molecule-sec

Half-Life = 0.186 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.232 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 : 61.26 L/kg (MCI method)

Log Koc: 1.787 (MCI method)

Koc : 3.155 L/kg (Kow method)

Log Koc: 0.499 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 1.157E+000 L/mol-sec

Kb Half-Life at pH 8: 6.931 days

Kb Half-Life at pH 7: 69.308 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) = -1.5679 days (HL = 0.02705 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.256 (BCF = 1.802)

Log BAF Arnot-Gobas method (upper trophic) = 0.256 (BAF = 1.802)

log Kow used: 1.25 (estimated)

Volatilization from Water:

Henry LC: 3.04E-020 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.601E+016 hours (1.5E+015 days)

Half-Life from Model Lake : 3.928E+017 hours (1.637E+016 days)

Removal In Wastewater Treatment:

Total removal: 1.92 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.83 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 0.00105 4.46 1000

Water 21.1 360 1000

Soil 78.9 720 1000

Sediment 0.0914 3.24e+003 0

Persistence Time: 726 hr

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