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CAS Number: 112-69-6


CHEM : 1-Hexadecanamine, N,N-dimethyl-

MOL FOR: C18 H39 N1

MOL WT : 269.52

------------------------------ 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) = 7.41

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

Boiling Pt (deg C): 320.74 (Adapted Stein & Brown method)

Melting Pt (deg C): 62.77 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000286 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0381 (Modified Grain method)

Subcooled liquid VP: 0.000644 mm Hg (25 deg C, Mod-Grain method)

: 0.0859 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.08883

log Kow used: 7.41 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.042172 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

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

Bond Method : 2.56E-003 atm-m3/mole (2.59E+002 Pa-m3/mole)

Group Method: 1.94E-002 atm-m3/mole (1.97E+003 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.142E-003 atm-m3/mole (1.157E+002 Pa-m3/mole)

VP: 0.000286 mm Hg (source: MPBPVP)

WS: 0.0888 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.41 (KowWin est)

Log Kaw used: -0.980 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.390

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5224

Biowin2 (Non-Linear Model) : 0.2319

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6471 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4400 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5680

Biowin6 (MITI Non-Linear Model): 0.6001

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4054

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): 0.0859 Pa (0.000644 mm Hg)

Log Koa (Koawin est ): 8.390

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

Mackay model : 3.49E-005

Octanol/air (Koa) model: 6.03E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00126

Mackay model : 0.00279

Octanol/air (Koa) model: 0.0048

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 98.8994 E-12 cm3/molecule-sec

Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.298 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00202 (Junge-Pankow, Mackay avg)

0.0048 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 6.224E+004 L/kg (MCI method)

Log Koc: 4.794 (MCI method)

Koc : 9.087E+004 L/kg (Kow method)

Log Koc: 4.958 (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 = 3.329 (BCF = 2133 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3970 days (HL = 2.495 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.211 (BCF = 162.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.978 (BAF = 950.5)

log Kow used: 7.41 (estimated)

Volatilization from Water:

Henry LC: 0.0194 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.725 hours

Half-Life from Model Lake : 156.5 hours (6.52 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.72 percent

Total to Air: 0.56 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.169 2.6 1000

Water 10.7 900 1000

Soil 72.5 1.8e+003 1000

Sediment 16.7 8.1e+003 0

Persistence Time: 1.05e+003 hr

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