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CAS Num: 000091-53-2

SMILES : O(c(ccc(NC(C=C1C)(C)C)c12)c2)CC

CHEM : Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-

MOL FOR: C14 H19 N1 O1

MOL WT : 217.31

------------------------------ 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) = 3.87

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

Boiling Pt (deg C): 316.84 (Adapted Stein & Brown method)

Melting Pt (deg C): 104.68 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000132 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0176 (Modified Grain method)

BP (exp database): 123-125 @ 2 mm Hg deg C

Subcooled liquid VP: 0.000795 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 17.46

log Kow used: 3.87 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 20.093 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Amines

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

Bond Method : 2.42E-007 atm-m3/mole (2.45E-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: 2.162E-006 atm-m3/mole (2.190E-001 Pa-m3/mole)

VP: 0.000132 mm Hg (source: MPBPVP)

WS: 17.5 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.87 (KowWin est)

Log Kaw used: -5.005 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.875

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3583

Biowin2 (Non-Linear Model) : 0.1886

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3137 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3495 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2527

Biowin6 (MITI Non-Linear Model): 0.0866

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2501

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): 0.106 Pa (0.000795 mm Hg)

Log Koa (Koawin est ): 8.875

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

Mackay model : 2.83E-005

Octanol/air (Koa) model: 0.000184

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00102

Mackay model : 0.00226

Octanol/air (Koa) model: 0.0145

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 128.2352 E-12 cm3/molecule-sec

Half-Life = 0.083 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.001 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec

Half-Life = 0.084 Days (at 7E11 mol/cm3)

Half-Life = 2.015 Hrs

Fraction sorbed to airborne particulates (phi):

0.00164 (Junge-Pankow, Mackay avg)

0.0145 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1269 L/kg (MCI method)

Log Koc: 3.104 (MCI method)

Koc : 1197 L/kg (Kow method)

Log Koc: 3.078 (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 = 2.224 (BCF = 167.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.4121 days (HL = 2.583 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.659 (BCF = 455.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.660 (BAF = 456.9)

log Kow used: 3.87 (estimated)

Volatilization from Water:

Henry LC: 2.42E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3568 hours (148.7 days)

Half-Life from Model Lake : 3.905E+004 hours (1627 days)

Removal In Wastewater Treatment:

Total removal: 24.51 percent

Total biodegradation: 0.28 percent

Total sludge adsorption: 24.22 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0443 1 1000

Water 18 900 1000

Soil 80.6 1.8e+003 1000

Sediment 1.28 8.1e+003 0

Persistence Time: 1.06e+003 hr

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