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CAS Num: 005263-87-6
SMILES : O(c(ccc(nccc1)c12)c2)C
CHEM : Quinoline, 6-methoxy-
MOL FOR: C10 H9 N1 O1
MOL WT : 159.19
------------------------------ 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) = 2.22
Log Kow (Exper. database match) = 2.37
Exper. Ref: HANSCH,C ET AL. (1995)
Log Kow (Exper. database match) = 2.20
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 274.98 (Adapted Stein & Brown method)
Melting Pt (deg C): 62.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00138 (Modified Grain method)
VP (Pa, 25 deg C) : 0.183 (Modified Grain method)
MP (exp database): 26.5 deg C
BP (exp database): 306 deg C
Subcooled liquid VP: 0.00142 mm Hg (25 deg C, Mod-Grain method)
: 0.189 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 912.5
log Kow used: 2.20 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4152.6 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.07E-008 atm-m3/mole (4.13E-003 Pa-m3/mole)
Group Method: 1.25E-006 atm-m3/mole (1.27E-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: 3.168E-007 atm-m3/mole (3.210E-002 Pa-m3/mole)
VP: 0.00138 mm Hg (source: MPBPVP)
WS: 913 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.20 (exp database)
Log Kaw used: -5.779 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.979
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8037
Biowin2 (Non-Linear Model) : 0.9524
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7893 (weeks )
Biowin4 (Primary Survey Model) : 3.6952 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4835
Biowin6 (MITI Non-Linear Model): 0.4983
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3619
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): 0.189 Pa (0.00142 mm Hg)
Log Koa (Koawin est ): 7.979
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.58E-005
Octanol/air (Koa) model: 2.34E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000572
Mackay model : 0.00127
Octanol/air (Koa) model: 0.00187
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 128.7612 E-12 cm3/molecule-sec
Half-Life = 0.083 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.997 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000919 (Junge-Pankow, Mackay avg)
0.00187 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 989.5 L/kg (MCI method)
Log Koc: 2.995 (MCI method)
Koc : 157.7 L/kg (Kow method)
Log Koc: 2.198 (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 = 1.119 (BCF = 13.14 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.6509 days (HL = 0.2234 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.147 (BCF = 14.04)
Log BAF Arnot-Gobas method (upper trophic) = 1.147 (BAF = 14.04)
log Kow used: 2.20 (expkow database)
Volatilization from Water:
Henry LC: 1.25E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 592.3 hours (24.68 days)
Half-Life from Model Lake : 6567 hours (273.6 days)
Removal In Wastewater Treatment:
Total removal: 2.55 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.38 percent
Total to Air: 0.07 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.201 1.99 1000
Water 24.7 360 1000
Soil 74.2 720 1000
Sediment 0.867 3.24e+003 0
Persistence Time: 463 hr