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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