SMILES : Nc1ccccc1C(=O)OCC=C
CHEM : ALLYL-ANTHRANILAT
CAS NUM: 007493-63-2
MOL FOR: C10 H11 N1 O2
MOL WT : 177.20
------------------------------ EPI SUMMARY (v3.20) --------------------------
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) = 3.11
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 294.20 (Adapted Stein & Brown method)
Melting Pt (deg C): 75.10 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00089 (Modified Grain method)
Subcooled liquid VP: 0.00265 mm Hg (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 125.3
log Kow used: 3.11 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 583.91 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aromatic Amines
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.61E-008 atm-m3/mole
Group Method: 1.02E-008 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 1.656E-006 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.11 (KowWin est)
Log Kaw used: -6.182 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.292
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6036
Biowin2 (Non-Linear Model) : 0.9349
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8128 (weeks )
Biowin4 (Primary Survey Model) : 3.7127 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4719
Biowin6 (MITI Non-Linear Model): 0.4074
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1538
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): 0.353 Pa (0.00265 mm Hg)
Log Koa (Koawin est ): 9.292
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.49E-006
Octanol/air (Koa) model: 0.000481
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000307
Mackay model : 0.000679
Octanol/air (Koa) model: 0.037
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 62.5929 E-12 cm3/molecule-sec
Half-Life = 0.171 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.051 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi): 0.000493 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 72.87
Log Koc: 1.863
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 1.083E-001 L/mol-sec
Kb Half-Life at pH 8: 74.060 days
Kb Half-Life at pH 7: 2.028 years
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 1.695 (BCF = 49.56)
log Kow used: 3.11 (estimated)
Volatilization from Water:
Henry LC: 1.02E-008 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.146E+005 hours (4776 days)
Half-Life from Model Lake : 8.337E+005 hours (3.474E+004 days)
Removal In Wastewater Treatment:
Total removal: 6.74 percent
Total biodegradation: 0.13 percent
Total sludge adsorption: 6.61 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.117 3.48 1000
Water 19.6 360 1000
Soil 79.9 720 1000
Sediment 0.402 3.24e+003 0
Persistence Time: 630 hr