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CAS Number: 112-00-5


CHEM : 1-Dodecanaminium, N,N,N-trimethyl-, chloride

MOL FOR: C15 H34 CL1 N1

MOL WT : 263.90

------------------------------ 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) = 1.22

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

Boiling Pt (deg C): 453.47 (Adapted Stein & Brown method)

Melting Pt (deg C): 182.19 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.27E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 1.24E-006 (Modified Grain method)

Subcooled liquid VP: 4.03E-007 mm Hg (25 deg C, Mod-Grain method)

: 5.37E-005 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1795

log Kow used: 1.22 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.030086 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 9.42E-011 atm-m3/mole (9.55E-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: 1.793E-012 atm-m3/mole (1.817E-007 Pa-m3/mole)

VP: 9.27E-009 mm Hg (source: MPBPVP)

WS: 1.8E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.22 (KowWin est)

Log Kaw used: -8.414 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.634

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7303

Biowin2 (Non-Linear Model) : 0.7512

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9143 (weeks )

Biowin4 (Primary Survey Model) : 3.7361 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4630

Biowin6 (MITI Non-Linear Model): 0.4911

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0483

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): 5.37E-005 Pa (4.03E-007 mm Hg)

Log Koa (Koawin est ): 9.634

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

Mackay model : 0.0558

Octanol/air (Koa) model: 0.00106

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.669

Mackay model : 0.817

Octanol/air (Koa) model: 0.078

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 28.5120 E-12 cm3/molecule-sec

Half-Life = 0.375 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.502 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.743 (Junge-Pankow, Mackay avg)

0.078 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 6628 L/kg (MCI method)

Log Koc: 3.821 (MCI method)

Koc : 32.57 L/kg (Kow method)

Log Koc: 1.513 (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) = -0.5581 days (HL = 0.2766 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.398 (BCF = 2.5)

Log BAF Arnot-Gobas method (upper trophic) = 0.398 (BAF = 2.5)

log Kow used: 1.22 (estimated)

Volatilization from Water:

Henry LC: 9.42E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.01E+007 hours (4.207E+005 days)

Half-Life from Model Lake : 1.101E+008 hours (4.589E+006 days)

Removal In Wastewater Treatment:

Total removal: 1.91 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.82 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 0.00585 9 1000

Water 15.4 360 1000

Soil 81.5 720 1000

Sediment 3.1 3.24e+003 0

Persistence Time: 802 hr

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