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CAS Number: 61788-93-0

SMILES : CCCCCCCCCCCCN(C)C

CHEM : Amines, coco alkyldimethyl

MOL FOR: C14 H31 N1

MOL WT : 213.41

------------------------------ 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) = 5.44

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

Boiling Pt (deg C): 260.12 (Adapted Stein & Brown method)

Melting Pt (deg C): 22.53 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0159 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.12 (Mean VP of Antoine & Grain methods)

MP (exp database): 22 deg C

BP (exp database): 260 deg C

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

Water Solubility at 25 deg C (mg/L): 8.575

log Kow used: 5.44 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.696 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

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

Bond Method : 8.24E-004 atm-m3/mole (8.35E+001 Pa-m3/mole)

Group Method: 4.88E-003 atm-m3/mole (4.95E+002 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: 5.207E-004 atm-m3/mole (5.276E+001 Pa-m3/mole)

VP: 0.0159 mm Hg (source: MPBPVP)

WS: 8.57 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.44 (KowWin est)

Log Kaw used: -1.473 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.913

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5491

Biowin2 (Non-Linear Model) : 0.4011

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7711 (weeks )

Biowin4 (Primary Survey Model) : 3.5209 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5372

Biowin6 (MITI Non-Linear Model): 0.5764

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.5093

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): 2.12 Pa (0.0159 mm Hg)

Log Koa (Koawin est ): 6.913

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

Mackay model : 1.42E-006

Octanol/air (Koa) model: 2.01E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.11E-005

Mackay model : 0.000113

Octanol/air (Koa) model: 0.000161

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 93.2472 E-12 cm3/molecule-sec

Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.376 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

8.22E-005 (Junge-Pankow, Mackay avg)

0.000161 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5643 L/kg (MCI method)

Log Koc: 3.751 (MCI method)

Koc : 7392 L/kg (Kow method)

Log Koc: 3.869 (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 = 1.882 (BCF = 76.29 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1596 days (HL = 0.6925 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.440 (BCF = 275.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.443 (BAF = 277.3)

log Kow used: 5.44 (estimated)

Volatilization from Water:

Henry LC: 0.00488 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.666 hours

Half-Life from Model Lake : 140.7 hours (5.861 days)

Removal In Wastewater Treatment:

Total removal: 90.25 percent

Total biodegradation: 0.61 percent

Total sludge adsorption: 79.63 percent

Total to Air: 10.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.533 2.75 1000

Water 16.8 360 1000

Soil 79.8 720 1000

Sediment 2.86 3.24e+003 0

Persistence Time: 376 hr

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