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CAS Num: 010072-05-6

SMILES : c(ccc1C(=O)OC)cc1N(C)C

CHEM : BENZOIC ACID, 2-(DIMETHYLAMINO)-, METHYL ESTER

MOL FOR: C10 H13 N1 O2

MOL WT : 179.22

------------------------------ 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) = 3.36

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

Boiling Pt (deg C): 251.65 (Adapted Stein & Brown method)

Melting Pt (deg C): 38.16 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0186 (Modified Grain method)

VP (Pa, 25 deg C) : 2.48 (Modified Grain method)

Subcooled liquid VP: 0.0244 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 75.12

log Kow used: 3.36 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1541.5 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 5.52E-007 atm-m3/mole (5.59E-002 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: 5.839E-005 atm-m3/mole (5.916E+000 Pa-m3/mole)

VP: 0.0186 mm Hg (source: MPBPVP)

WS: 75.1 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.36 (KowWin est)

Log Kaw used: -4.647 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.007

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6311

Biowin2 (Non-Linear Model) : 0.9105

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6885 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5301 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4720

Biowin6 (MITI Non-Linear Model): 0.3769

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6874

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 3.25 Pa (0.0244 mm Hg)

Log Koa (Koawin est ): 8.007

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

Mackay model : 9.22E-007

Octanol/air (Koa) model: 2.49E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.33E-005

Mackay model : 7.38E-005

Octanol/air (Koa) model: 0.00199

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 121.5646 E-12 cm3/molecule-sec

Half-Life = 0.088 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.056 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.35E-005 (Junge-Pankow, Mackay avg)

0.00199 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 36.99 L/kg (MCI method)

Log Koc: 1.568 (MCI method)

Koc : 449.6 L/kg (Kow method)

Log Koc: 2.653 (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 = 1.884 (BCF = 76.48 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1345 days (HL = 0.07336 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.442 (BCF = 27.65)

Log BAF Arnot-Gobas method (upper trophic) = 1.442 (BAF = 27.65)

log Kow used: 3.36 (estimated)

Volatilization from Water:

Henry LC: 5.52E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1421 hours (59.22 days)

Half-Life from Model Lake : 1.562E+004 hours (650.7 days)

Removal In Wastewater Treatment:

Total removal: 10.25 percent

Total biodegradation: 0.16 percent

Total sludge adsorption: 10.06 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 0.132 2.11 1000

Water 32 900 1000

Soil 67.7 1.8e+003 1000

Sediment 0.117 8.1e+003 0

Persistence Time: 785 hr

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