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CAS Num: 018189-07-6


CHEM : Benzoic acid, 2-amino-, decyl ester

MOL FOR: C17 H27 N1 O2

MOL WT : 277.41

------------------------------ 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) = 6.68

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

Boiling Pt (deg C): 382.88 (Adapted Stein & Brown method)

Melting Pt (deg C): 130.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.88E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000251 (Modified Grain method)

Subcooled liquid VP: 2.16E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00288 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.03242

log Kow used: 6.68 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.15383 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Anilines (Aromatic Amines)


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

Bond Method : 1.57E-007 atm-m3/mole (1.59E-002 Pa-m3/mole)

Group Method: 1.58E-007 atm-m3/mole (1.60E-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: 2.117E-005 atm-m3/mole (2.145E+000 Pa-m3/mole)

VP: 1.88E-006 mm Hg (source: MPBPVP)

WS: 0.0324 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.68 (KowWin est)

Log Kaw used: -5.193 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.873

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6643

Biowin2 (Non-Linear Model) : 0.9563

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8897 (weeks )

Biowin4 (Primary Survey Model) : 3.8372 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5509

Biowin6 (MITI Non-Linear Model): 0.5256

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1850

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): 0.00288 Pa (2.16E-005 mm Hg)

Log Koa (Koawin est ): 11.873

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

Mackay model : 0.00104

Octanol/air (Koa) model: 0.183

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0363

Mackay model : 0.0769

Octanol/air (Koa) model: 0.936

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 47.8440 E-12 cm3/molecule-sec

Half-Life = 0.224 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.683 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0566 (Junge-Pankow, Mackay avg)

0.936 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7323 L/kg (MCI method)

Log Koc: 3.865 (MCI method)

Koc : 3.41E+004 L/kg (Kow method)

Log Koc: 4.533 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.427E-002 L/mol-sec

Kb Half-Life at pH 8: 1.539 years

Kb Half-Life at pH 7: 15.388 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.703 (BCF = 505 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1087 days (HL = 0.7785 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.211 (BCF = 162.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.268 (BAF = 185.5)

log Kow used: 6.68 (estimated)

Volatilization from Water:

Henry LC: 1.58E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 6174 hours (257.2 days)

Half-Life from Model Lake : 6.749E+004 hours (2812 days)

Removal In Wastewater Treatment:

Total removal: 93.64 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 92.86 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 0.412 5.37 1000

Water 22.1 360 1000

Soil 73.6 720 1000

Sediment 3.95 3.24e+003 0

Persistence Time: 516 hr

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