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CAS Number: 68140-00-1


CHEM : Amides, coco, N-(hydroxyethyl)

MOL FOR: C14 H29 N1 O2

MOL WT : 243.39

------------------------------ 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) = 3.24

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

Boiling Pt (deg C): 404.49 (Adapted Stein & Brown method)

Melting Pt (deg C): 154.12 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.57E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 8.76E-007 (Modified Grain method)

Subcooled liquid VP: 1.37E-007 mm Hg (25 deg C, Mod-Grain method)

: 1.82E-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): 43.9

log Kow used: 3.24 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 231.39 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 2.03E-011 atm-m3/mole (2.05E-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: 4.793E-011 atm-m3/mole (4.856E-006 Pa-m3/mole)

VP: 6.57E-009 mm Hg (source: MPBPVP)

WS: 43.9 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.24 (KowWin est)

Log Kaw used: -9.081 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.321

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1090

Biowin2 (Non-Linear Model) : 0.9945

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0654 (weeks )

Biowin4 (Primary Survey Model) : 4.1005 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8692

Biowin6 (MITI Non-Linear Model): 0.9284

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3156

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): 1.83E-005 Pa (1.37E-007 mm Hg)

Log Koa (Koawin est ): 12.321

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

Mackay model : 0.164

Octanol/air (Koa) model: 0.514

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.856

Mackay model : 0.929

Octanol/air (Koa) model: 0.976

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.9205 E-12 cm3/molecule-sec

Half-Life = 0.346 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.151 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.893 (Junge-Pankow, Mackay avg)

0.976 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 235.7 L/kg (MCI method)

Log Koc: 2.372 (MCI method)

Koc : 190.6 L/kg (Kow method)

Log Koc: 2.280 (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 = 1.805 (BCF = 63.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2524 days (HL = 0.05593 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.323 (BCF = 21.06)

Log BAF Arnot-Gobas method (upper trophic) = 1.323 (BAF = 21.06)

log Kow used: 3.24 (estimated)

Volatilization from Water:

Henry LC: 2.03E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.5E+007 hours (1.875E+006 days)

Half-Life from Model Lake : 4.909E+008 hours (2.045E+007 days)

Removal In Wastewater Treatment:

Total removal: 8.33 percent

Total biodegradation: 0.15 percent

Total sludge adsorption: 8.19 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 0.00296 8.3 1000

Water 17.6 360 1000

Soil 82.2 720 1000

Sediment 0.19 3.24e+003 0

Persistence Time: 764 hr

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