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CAS Num: 000124-30-1

SMILES : NCCCCCCCCCCCCCCCCCC

CHEM : 1-Octadecanamine

MOL FOR: C18 H39 N1

MOL WT : 269.52

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 7.71

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

Boiling Pt (deg C): 341.88 (Adapted Stein & Brown method)

Melting Pt (deg C): 94.34 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.7E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0116 (Modified Grain method)

MP (exp database): 52.9 deg C

BP (exp database): 346.8 deg C

Subcooled liquid VP: 0.000157 mm Hg (25 deg C, Mod-Grain method)

: 0.021 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 0.04875

log Kow used: 7.71 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.015661 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

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

Bond Method : 9.36E-004 atm-m3/mole (9.48E+001 Pa-m3/mole)

Group Method: 2.18E-003 atm-m3/mole (2.21E+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: 6.329E-004 atm-m3/mole (6.413E+001 Pa-m3/mole)

VP: 8.7E-005 mm Hg (source: MPBPVP)

WS: 0.0488 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.71 (KowWin est)

Log Kaw used: -1.417 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.127

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8815

Biowin2 (Non-Linear Model) : 0.8943

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9263 (weeks )

Biowin4 (Primary Survey Model) : 3.7712 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7841

Biowin6 (MITI Non-Linear Model): 0.8559

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.0579

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): 0.0209 Pa (0.000157 mm Hg)

Log Koa (Koawin est ): 9.127

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

Mackay model : 0.000143

Octanol/air (Koa) model: 0.000329

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00515

Mackay model : 0.0113

Octanol/air (Koa) model: 0.0256

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 54.1958 E-12 cm3/molecule-sec

Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.368 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00824 (Junge-Pankow, Mackay avg)

0.0256 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.971E+005 L/kg (MCI method)

Log Koc: 5.295 (MCI method)

Koc : 1.472E+005 L/kg (Kow method)

Log Koc: 5.168 (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 v3.00):

Log BCF from regression-based method = 3.180 (BCF = 1512 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.2386 days (HL = 17.32 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.740 (BCF = 549.1)

Log BAF Arnot-Gobas method (upper trophic) = 5.048 (BAF = 1.117e+005)

log Kow used: 7.71 (estimated)

Volatilization from Water:

Henry LC: 0.00218 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.116 hours

Half-Life from Model Lake : 160.7 hours (6.698 days)

Removal In Wastewater Treatment:

Total removal: 94.00 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.19 percent

Total to Air: 0.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.435 4.74 1000

Water 15.3 360 1000

Soil 61.2 720 1000

Sediment 23.1 3.24e+003 0

Persistence Time: 565 hr

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