This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Num: 067785-76-6
SMILES : O=C(OC)c(c(N=CCc(cccc1)c1)ccc2)c2
CHEM : Benzoic acid, 2- (2-phenylethylidene)amino -, methyl ester
MOL FOR: C16 H15 N1 O2
MOL WT : 253.30
------------------------------ 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) = 3.53
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 360.03 (Adapted Stein & Brown method)
Melting Pt (deg C): 99.31 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.44E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00192 (Modified Grain method)
Subcooled liquid VP: 7.62E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.0102 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 22.03
log Kow used: 3.53 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 39.708 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Schiff Bases
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.42E-007 atm-m3/mole (8.53E-002 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.179E-007 atm-m3/mole (2.207E-002 Pa-m3/mole)
VP: 1.44E-005 mm Hg (source: MPBPVP)
WS: 22 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.53 (KowWin est)
Log Kaw used: -4.463 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.993
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9839
Biowin2 (Non-Linear Model) : 0.9972
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7268 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6476 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2703
Biowin6 (MITI Non-Linear Model): 0.1878
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0000
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): 0.0102 Pa (7.62E-005 mm Hg)
Log Koa (Koawin est ): 7.993
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000295
Octanol/air (Koa) model: 2.42E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0106
Mackay model : 0.0231
Octanol/air (Koa) model: 0.00193
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 9.0708 E-12 cm3/molecule-sec
Half-Life = 1.179 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 14.150 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0168 (Junge-Pankow, Mackay avg)
0.00193 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.431E+004 L/kg (MCI method)
Log Koc: 4.156 (MCI method)
Koc : 648.7 L/kg (Kow method)
Log Koc: 2.812 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.998E-002 L/mol-sec
Kb Half-Life at pH 8: 200.670 days
Kb Half-Life at pH 7: 5.494 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.995 (BCF = 98.76 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0288 days (HL = 0.09359 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.556 (BCF = 35.95)
Log BAF Arnot-Gobas method (upper trophic) = 1.556 (BAF = 35.95)
log Kow used: 3.53 (estimated)
Volatilization from Water:
Henry LC: 8.42E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1108 hours (46.18 days)
Half-Life from Model Lake : 1.222E+004 hours (509.3 days)
Removal In Wastewater Treatment:
Total removal: 13.77 percent
Total biodegradation: 0.19 percent
Total sludge adsorption: 13.54 percent
Total to Air: 0.04 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.682 28.3 1000
Water 14.3 900 1000
Soil 73.2 1.8e+003 1000
Sediment 11.9 8.1e+003 0
Persistence Time: 1.28e+003 hr