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CAS Number: 142-58-5

SMILES : O=C(NCCO)CCCCCCCCCCCCC

CHEM : Tetradecanamide, N-(2-hydroxyethyl)-

MOL FOR: C16 H33 N1 O2

MOL WT : 271.45

------------------------------ 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) = 4.22

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

Boiling Pt (deg C): 427.69 (Adapted Stein & Brown method)

Melting Pt (deg C): 163.15 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.07E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 1.43E-007 (Modified Grain method)

Subcooled liquid VP: 2.82E-008 mm Hg (25 deg C, Mod-Grain method)

: 3.76E-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): 4.435

log Kow used: 4.22 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 21.761 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Amides

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

Bond Method : 3.57E-011 atm-m3/mole (3.62E-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: 8.617E-011 atm-m3/mole (8.731E-006 Pa-m3/mole)

VP: 1.07E-009 mm Hg (source: MPBPVP)

WS: 4.43 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.22 (KowWin est)

Log Kaw used: -8.836 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.056

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0956

Biowin2 (Non-Linear Model) : 0.9919

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0034 (weeks )

Biowin4 (Primary Survey Model) : 4.0601 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8846

Biowin6 (MITI Non-Linear Model): 0.9316

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3675

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): 3.76E-006 Pa (2.82E-008 mm Hg)

Log Koa (Koawin est ): 13.056

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

Mackay model : 0.798

Octanol/air (Koa) model: 2.79

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.966

Mackay model : 0.985

Octanol/air (Koa) model: 0.996

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 33.7466 E-12 cm3/molecule-sec

Half-Life = 0.317 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.803 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.976 (Junge-Pankow, Mackay avg)

0.996 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 782.9 L/kg (MCI method)

Log Koc: 2.894 (MCI method)

Koc : 664.2 L/kg (Kow method)

Log Koc: 2.822 (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 = 1.079 (BCF = 12 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9741 days (HL = 0.1062 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.651 (BCF = 44.73)

Log BAF Arnot-Gobas method (upper trophic) = 1.651 (BAF = 44.73)

log Kow used: 4.22 (estimated)

Volatilization from Water:

Henry LC: 3.57E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.702E+007 hours (1.126E+006 days)

Half-Life from Model Lake : 2.948E+008 hours (1.228E+007 days)

Removal In Wastewater Treatment:

Total removal: 40.99 percent

Total biodegradation: 0.41 percent

Total sludge adsorption: 40.58 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 0.0221 7.61 1000

Water 16.7 360 1000

Soil 82.8 720 1000

Sediment 0.477 3.24e+003 0

Persistence Time: 764 hr

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