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CAS Num: 068228-10-4

SMILES : CCc1cc(c2ccccc2n1)CC

CHEM : Quinoline, diethyl-

MOL FOR: C13 H15 N1

MOL WT : 185.27

------------------------------ 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) = 4.22

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

Boiling Pt (deg C): 304.91 (Adapted Stein & Brown method)

Melting Pt (deg C): 82.52 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000424 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0565 (Modified Grain method)

Subcooled liquid VP: 0.0015 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 12.93

log Kow used: 4.22 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 77.063 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.48E-006 atm-m3/mole (1.50E-001 Pa-m3/mole)

Group Method: 5.48E-006 atm-m3/mole (5.55E-001 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: 7.994E-006 atm-m3/mole (8.100E-001 Pa-m3/mole)

VP: 0.000424 mm Hg (source: MPBPVP)

WS: 12.9 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.22 (KowWin est)

Log Kaw used: -4.218 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.438

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7687

Biowin2 (Non-Linear Model) : 0.8223

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6400 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4434 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.0915

Biowin6 (MITI Non-Linear Model): 0.0807

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0438

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): 0.2 Pa (0.0015 mm Hg)

Log Koa (Koawin est ): 8.438

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

Mackay model : 1.5E-005

Octanol/air (Koa) model: 6.73E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000542

Mackay model : 0.0012

Octanol/air (Koa) model: 0.00535

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 37.3196 E-12 cm3/molecule-sec

Half-Life = 0.287 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.439 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00087 (Junge-Pankow, Mackay avg)

0.00535 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.476E+004 L/kg (MCI method)

Log Koc: 4.169 (MCI method)

Koc : 4593 L/kg (Kow method)

Log Koc: 3.662 (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 = 2.451 (BCF = 282.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3659 days (HL = 0.4307 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.219 (BCF = 165.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.219 (BAF = 165.6)

log Kow used: 4.22 (estimated)

Volatilization from Water:

Henry LC: 5.48E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 146.8 hours (6.117 days)

Half-Life from Model Lake : 1716 hours (71.49 days)

Removal In Wastewater Treatment:

Total removal: 41.12 percent

Total biodegradation: 0.41 percent

Total sludge adsorption: 40.54 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 0.257 6.88 1000

Water 14.7 900 1000

Soil 72.5 1.8e+003 1000

Sediment 12.5 8.1e+003 0

Persistence Time: 1.2e+003 hr

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