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CAS Number: 7173-51-5


CHEM : 1-Decanaminium, N-decyl-N,N-dimethyl-, chloride

MOL FOR: C22 H48 CL1 N1

MOL WT : 362.09

------------------------------ 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) = 4.66

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

Boiling Pt (deg C): 534.70 (Adapted Stein & Brown method)

Melting Pt (deg C): 228.81 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.33E-011 (Modified Grain method)

VP (Pa, 25 deg C) : 3.1E-009 (Modified Grain method)

Subcooled liquid VP: 3.6E-009 mm Hg (25 deg C, Mod-Grain method)

: 4.79E-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): 0.5505

log Kow used: 4.66 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 7.1879e-006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.85E-010 atm-m3/mole (6.94E-005 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: 2.017E-011 atm-m3/mole (2.043E-006 Pa-m3/mole)

VP: 2.33E-011 mm Hg (source: MPBPVP)

WS: 0.55 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.66 (KowWin est)

Log Kaw used: -7.553 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.213

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7920

Biowin2 (Non-Linear Model) : 0.8256

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9957 (weeks )

Biowin4 (Primary Survey Model) : 3.8635 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5168

Biowin6 (MITI Non-Linear Model): 0.5340

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0875

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): 4.8E-007 Pa (3.6E-009 mm Hg)

Log Koa (Koawin est ): 12.213

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

Mackay model : 6.25

Octanol/air (Koa) model: 0.401

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.996

Mackay model : 0.998

Octanol/air (Koa) model: 0.97

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 46.3125 E-12 cm3/molecule-sec

Half-Life = 0.231 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.771 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.997 (Junge-Pankow, Mackay avg)

0.97 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4.848E+005 L/kg (MCI method)

Log Koc: 5.686 (MCI method)

Koc : 2603 L/kg (Kow method)

Log Koc: 3.416 (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 = 1.850 (BCF = 70.79 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.4501 days (HL = 2.819 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.968 (BCF = 929.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.976 (BAF = 945.9)

log Kow used: 4.66 (estimated)

Volatilization from Water:

Henry LC: 6.85E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.626E+006 hours (6.777E+004 days)

Half-Life from Model Lake : 1.774E+007 hours (7.393E+005 days)

Removal In Wastewater Treatment:

Total removal: 64.10 percent

Total biodegradation: 0.58 percent

Total sludge adsorption: 63.52 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 0.179 5.54 1000

Water 6.55 360 1000

Soil 39 720 1000

Sediment 54.3 3.24e+003 0

Persistence Time: 1.07e+003 hr

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