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CAS Number: 61789-80-8


CHEM : Quaternary ammonium compounds, bis(hydrogenated tallow alkyl)dimethyl

, chlorides

MOL FOR: C38 H80 CL1 N1

MOL WT : 586.52

------------------------------ EPI SUMMARY (v4.10) --------------------------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 12.52

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

Boiling Pt (deg C): 720.36 (Adapted Stein & Brown method)

Melting Pt (deg C): 315.53 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.91E-014 (Modified Grain method)

VP (Pa, 25 deg C) : 2.55E-012 (Modified Grain method)

MP (exp database): 67 deg C

Subcooled liquid VP: 4.74E-014 mm Hg (25 deg C, Mod-Grain method)

: 6.32E-012 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 4.036e-009

log Kow used: 12.52 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.8652e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.37E-008 atm-m3/mole (6.46E-003 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: 3.652E-006 atm-m3/mole (3.701E-001 Pa-m3/mole)

VP: 1.91E-014 mm Hg (source: MPBPVP)

WS: 4.04E-009 mg/L (source: WSKOWWIN)

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

Log Kow used: 12.52 (KowWin est)

Log Kaw used: -5.584 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 18.104

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6852

Biowin2 (Non-Linear Model) : 0.1635

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4997 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5397 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6398

Biowin6 (MITI Non-Linear Model): 0.6293

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3283

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): 6.32E-012 Pa (4.74E-014 mm Hg)

Log Koa (Koawin est ): 18.104

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

Mackay model : 4.75E+005

Octanol/air (Koa) model: 3.12E+005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 68.9213 E-12 cm3/molecule-sec

Half-Life = 0.155 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.862 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7.178E+009 L/kg (MCI method)

Log Koc: 9.856 (MCI method)

Koc : 5.796E+007 L/kg (Kow method)

Log Koc: 7.763 (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) = 2.6765 days (HL = 474.8 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.013 (BCF = 1.03)

Log BAF Arnot-Gobas method (upper trophic) = 2.759 (BAF = 574.3)

log Kow used: 12.52 (estimated)

Volatilization from Water:

Henry LC: 6.37E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.226E+004 hours (927.6 days)

Half-Life from Model Lake : 2.431E+005 hours (1.013E+004 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 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 0.0956 3.72 1000

Water 10.8 900 1000

Soil 62.8 1.8e+003 1000

Sediment 26.3 8.1e+003 0

Persistence Time: 1.54e+003 hr

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