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CAS Num: 068141-26-4
SMILES : n(c(c(cc(c1)CC(C)C)cc2)c1)c2
CHEM : Quinoline, 6-(2-methylpropyl)-
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) = 4.09
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 296.09 (Adapted Stein & Brown method)
Melting Pt (deg C): 75.26 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000802 (Modified Grain method)
VP (Pa, 25 deg C) : 0.107 (Modified Grain method)
Subcooled liquid VP: 0.0024 mm Hg (25 deg C, Mod-Grain method)
: 0.32 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 16.69
log Kow used: 4.09 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 125.73 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.78E-006 atm-m3/mole (1.80E-001 Pa-m3/mole)
Group Method: 6.14E-006 atm-m3/mole (6.23E-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: 1.171E-005 atm-m3/mole (1.187E+000 Pa-m3/mole)
VP: 0.000802 mm Hg (source: MPBPVP)
WS: 16.7 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.09 (KowWin est)
Log Kaw used: -4.138 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.228
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7140
Biowin2 (Non-Linear Model) : 0.7221
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7149 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5119 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1047
Biowin6 (MITI Non-Linear Model): 0.0922
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1833
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): 0.32 Pa (0.0024 mm Hg)
Log Koa (Koawin est ): 8.228
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.37E-006
Octanol/air (Koa) model: 4.15E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000339
Mackay model : 0.000749
Octanol/air (Koa) model: 0.00331
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 32.6938 E-12 cm3/molecule-sec
Half-Life = 0.327 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.926 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000544 (Junge-Pankow, Mackay avg)
0.00331 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.32E+004 L/kg (MCI method)
Log Koc: 4.121 (MCI method)
Koc : 3543 L/kg (Kow method)
Log Koc: 3.549 (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 = 2.365 (BCF = 231.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1721 days (HL = 0.6728 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.368 (BCF = 233.3)
Log BAF Arnot-Gobas method (upper trophic) = 2.368 (BAF = 233.3)
log Kow used: 4.09 (estimated)
Volatilization from Water:
Henry LC: 6.14E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 131.2 hours (5.466 days)
Half-Life from Model Lake : 1545 hours (64.38 days)
Removal In Wastewater Treatment:
Total removal: 34.52 percent
Total biodegradation: 0.35 percent
Total sludge adsorption: 33.94 percent
Total to Air: 0.22 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.294 7.85 1000
Water 14.9 900 1000
Soil 73.4 1.8e+003 1000
Sediment 11.4 8.1e+003 0
Persistence Time: 1.18e+003 hr