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CAS Num: 072894-12-3


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

MOL FOR: C17 H25 N1 O2

MOL WT : 275.39

------------------------------ 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) = 5.26

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

Boiling Pt (deg C): 357.10 (Adapted Stein & Brown method)

Melting Pt (deg C): 90.88 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.07E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00276 (Modified Grain method)

Subcooled liquid VP: 8.95E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.0119 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.5509

log Kow used: 5.26 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.0468 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


Schiff Bases

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

Bond Method : 7.58E-005 atm-m3/mole (7.68E+000 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: 1.362E-005 atm-m3/mole (1.380E+000 Pa-m3/mole)

VP: 2.07E-005 mm Hg (source: MPBPVP)

WS: 0.551 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.26 (KowWin est)

Log Kaw used: -2.509 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.769

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8990

Biowin2 (Non-Linear Model) : 0.9934

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0291 (weeks )

Biowin4 (Primary Survey Model) : 3.9484 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5655

Biowin6 (MITI Non-Linear Model): 0.6101

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1654

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): 0.0119 Pa (8.95E-005 mm Hg)

Log Koa (Koawin est ): 7.769

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

Mackay model : 0.000251

Octanol/air (Koa) model: 1.44E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.009

Mackay model : 0.0197

Octanol/air (Koa) model: 0.00115

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 12.8713 E-12 cm3/molecule-sec

Half-Life = 0.831 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.972 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0144 (Junge-Pankow, Mackay avg)

0.00115 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.553E+004 L/kg (MCI method)

Log Koc: 4.407 (MCI method)

Koc : 5874 L/kg (Kow method)

Log Koc: 3.769 (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 = 1.762 (BCF = 57.76 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2477 days (HL = 0.5653 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.360 (BCF = 229.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.361 (BAF = 229.8)

log Kow used: 5.26 (estimated)

Volatilization from Water:

Henry LC: 7.58E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 14.51 hours

Half-Life from Model Lake : 297.5 hours (12.39 days)

Removal In Wastewater Treatment:

Total removal: 84.52 percent

Total biodegradation: 0.72 percent

Total sludge adsorption: 83.40 percent

Total to Air: 0.41 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.64 19.9 1000

Water 17.8 360 1000

Soil 67.5 720 1000

Sediment 13 3.24e+003 0

Persistence Time: 516 hr

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