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CAS Number: 2644-45-3


CHEM : 1-Decanaminium, N-(carboxymethyl)-N,N-dimethyl-, hydroxide, inner sal


MOL FOR: C14 H30 N1 O2

MOL WT : 244.40

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = -0.51

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

Boiling Pt (deg C): 496.38 (Adapted Stein & Brown method)

Melting Pt (deg C): 210.91 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.59E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 4.79E-008 (Modified Grain method)

Subcooled liquid VP: 3.39E-008 mm Hg (25 deg C, Mod-Grain method)

: 4.52E-006 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.711e+005

log Kow used: -0.51 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.0486 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 7.93E-015 atm-m3/mole (8.04E-010 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: 6.747E-016 atm-m3/mole (6.837E-011 Pa-m3/mole)

VP: 3.59E-010 mm Hg (source: MPBPVP)

WS: 1.71E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.51 (KowWin est)

Log Kaw used: -12.489 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.979

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8123

Biowin2 (Non-Linear Model) : 0.8834

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3220 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1498 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6523

Biowin6 (MITI Non-Linear Model): 0.7708

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2886

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): 4.52E-006 Pa (3.39E-008 mm Hg)

Log Koa (Koawin est ): 11.979

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

Mackay model : 0.664

Octanol/air (Koa) model: 0.234

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.96

Mackay model : 0.982

Octanol/air (Koa) model: 0.949

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 31.4557 E-12 cm3/molecule-sec

Half-Life = 0.340 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.080 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.971 (Junge-Pankow, Mackay avg)

0.949 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 191.6 L/kg (MCI method)

Log Koc: 2.283 (MCI method)

Koc : 0.6116 L/kg (Kow method)

Log Koc: -0.214 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9282 days (HL = 0.118 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.036 (BCF = 0.9204)

Log BAF Arnot-Gobas method (upper trophic) = -0.036 (BAF = 0.9204)

log Kow used: -0.51 (estimated)

Volatilization from Water:

Henry LC: 7.93E-015 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.154E+011 hours (4.809E+009 days)

Half-Life from Model Lake : 1.259E+012 hours (5.246E+010 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 8.81e-006 8.16 1000

Water 19.4 208 1000

Soil 80.5 416 1000

Sediment 0.146 1.87e+003 0

Persistence Time: 459 hr

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