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CAS Num: 067874-67-3

SMILES : O=C(OC)c(c(N=CCCCCCCCCC)ccc1)c1

CHEM : Benzoic acid, 2-(decylideneamino)-, methyl ester

MOL FOR: C18 H27 N1 O2

MOL WT : 289.42

------------------------------ 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) = 5.75

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

Boiling Pt (deg C): 368.70 (Adapted Stein & Brown method)

Melting Pt (deg C): 99.91 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.83E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00118 (Modified Grain method)

Subcooled liquid VP: 4.73E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00631 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.1742

log Kow used: 5.75 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.62465 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Schiff Bases

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

Bond Method : 1.01E-004 atm-m3/mole (1.02E+001 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: 1.930E-005 atm-m3/mole (1.956E+000 Pa-m3/mole)

VP: 8.83E-006 mm Hg (source: MPBPVP)

WS: 0.174 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.75 (KowWin est)

Log Kaw used: -2.384 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.134

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8924

Biowin2 (Non-Linear Model) : 0.9920

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9981 (weeks )

Biowin4 (Primary Survey Model) : 3.9282 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5732

Biowin6 (MITI Non-Linear Model): 0.6159

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1914

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): 0.00631 Pa (4.73E-005 mm Hg)

Log Koa (Koawin est ): 8.134

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

Mackay model : 0.000476

Octanol/air (Koa) model: 3.34E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0169

Mackay model : 0.0367

Octanol/air (Koa) model: 0.00267

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 14.2843 E-12 cm3/molecule-sec

Half-Life = 0.749 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.986 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0268 (Junge-Pankow, Mackay avg)

0.00267 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4.652E+004 L/kg (MCI method)

Log Koc: 4.668 (MCI method)

Koc : 1.096E+004 L/kg (Kow method)

Log Koc: 4.040 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 3.998E-002 L/mol-sec

Kb Half-Life at pH 8: 200.670 days

Kb Half-Life at pH 7: 5.494 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.086 (BCF = 121.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1086 days (HL = 0.7788 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.468 (BCF = 293.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.476 (BAF = 299)

log Kow used: 5.75 (estimated)

Volatilization from Water:

Henry LC: 0.000101 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 11.6 hours

Half-Life from Model Lake : 269.2 hours (11.22 days)

Removal In Wastewater Treatment:

Total removal: 90.77 percent

Total biodegradation: 0.76 percent

Total sludge adsorption: 89.83 percent

Total to Air: 0.18 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.43 18 1000

Water 15.6 360 1000

Soil 63.3 720 1000

Sediment 19.7 3.24e+003 0

Persistence Time: 554 hr

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