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CAS Number: 544-31-0


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

MOL FOR: C18 H37 N1 O2

MOL WT : 299.50

------------------------------ 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) = 5.21

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

Boiling Pt (deg C): 450.90 (Adapted Stein & Brown method)

Melting Pt (deg C): 178.50 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.1E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 1.47E-007 (Modified Grain method)

MP (exp database): 98.5 deg C

Subcooled liquid VP: 5.72E-009 mm Hg (25 deg C, Mod-Grain method)

: 7.62E-007 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.4431

log Kow used: 5.21 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.0247 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 6.30E-011 atm-m3/mole (6.38E-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: 9.783E-010 atm-m3/mole (9.913E-005 Pa-m3/mole)

VP: 1.1E-009 mm Hg (source: MPBPVP)

WS: 0.443 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.21 (KowWin est)

Log Kaw used: -8.589 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.799

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0823

Biowin2 (Non-Linear Model) : 0.9880

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9414 (weeks )

Biowin4 (Primary Survey Model) : 4.0196 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9000

Biowin6 (MITI Non-Linear Model): 0.9347

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4195

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): 7.63E-007 Pa (5.72E-009 mm Hg)

Log Koa (Koawin est ): 13.799

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

Mackay model : 3.93

Octanol/air (Koa) model: 15.5

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.993

Mackay model : 0.997

Octanol/air (Koa) model: 0.999

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 36.5727 E-12 cm3/molecule-sec

Half-Life = 0.292 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.510 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.995 (Junge-Pankow, Mackay avg)

0.999 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2600 L/kg (MCI method)

Log Koc: 3.415 (MCI method)

Koc : 2344 L/kg (Kow method)

Log Koc: 3.370 (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 = 1.727 (BCF = 53.37 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6958 days (HL = 0.2015 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.922 (BCF = 83.57)

Log BAF Arnot-Gobas method (upper trophic) = 1.922 (BAF = 83.6)

log Kow used: 5.21 (estimated)

Volatilization from Water:

Henry LC: 6.3E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.608E+007 hours (6.701E+005 days)

Half-Life from Model Lake : 1.755E+008 hours (7.311E+006 days)

Removal In Wastewater Treatment:

Total removal: 83.33 percent

Total biodegradation: 0.71 percent

Total sludge adsorption: 82.62 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 0.0264 7.02 1000

Water 16.2 360 1000

Soil 82.4 720 1000

Sediment 1.34 3.24e+003 0

Persistence Time: 770 hr

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