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CAS Num: 000091-63-4

SMILES : n(c(c(ccc1)cc2)c1)c2C

CHEM : Quinoline, 2-methyl-

MOL FOR: C10 H9 N1

MOL WT : 143.19

------------------------------ 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) = 2.69

Log Kow (Exper. database match) = 2.59

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 257.71 (Adapted Stein & Brown method)

Melting Pt (deg C): 54.65 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0328 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 4.37 (Mean VP of Antoine & Grain methods)

MP (exp database): -1.5 deg C

BP (exp database): 246.5 deg C

VP (exp database): 9.46E-03 mm Hg (1.26E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 498.5

log Kow used: 2.59 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2367.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.60E-007 atm-m3/mole (7.70E-002 Pa-m3/mole)

Group Method: 2.13E-006 atm-m3/mole (2.16E-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: 1.240E-005 atm-m3/mole (1.256E+000 Pa-m3/mole)

VP: 0.0328 mm Hg (source: MPBPVP)

WS: 499 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.59 (exp database)

Log Kaw used: -4.508 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.098

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7340

Biowin2 (Non-Linear Model) : 0.8253

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8079 (weeks )

Biowin4 (Primary Survey Model) : 3.5726 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3769

Biowin6 (MITI Non-Linear Model): 0.3589

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1083

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): 1.26 Pa (0.00946 mm Hg)

Log Koa (Koawin est ): 7.098

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

Mackay model : 2.38E-006

Octanol/air (Koa) model: 3.08E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.59E-005

Mackay model : 0.00019

Octanol/air (Koa) model: 0.000246

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.4189 E-12 cm3/molecule-sec

Half-Life = 0.352 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.219 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000138 (Junge-Pankow, Mackay avg)

0.000246 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2478 L/kg (MCI method)

Log Koc: 3.394 (MCI method)

Koc : 176.8 L/kg (Kow method)

Log Koc: 2.247 (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 = 1.376 (BCF = 23.76 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5748 days (HL = 0.2662 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.468 (BCF = 29.39)

Log BAF Arnot-Gobas method (upper trophic) = 1.468 (BAF = 29.39)

log Kow used: 2.59 (expkow database)

Volatilization from Water:

Henry LC: 2.13E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 330.1 hours (13.76 days)

Half-Life from Model Lake : 3702 hours (154.2 days)

Removal In Wastewater Treatment:

Total removal: 3.50 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 3.27 percent

Total to Air: 0.12 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.754 8.44 1000

Water 23.9 360 1000

Soil 73.4 720 1000

Sediment 1.91 3.24e+003 0

Persistence Time: 475 hr

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