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 Number: 132213-65-1
SMILES : COC1=C(NC(=O)C(=N1)Cc2ccccc2)Cc3ccccc3
CHEM :
MOL FOR: C19 H18 N2 O2
MOL WT : 306.37
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 3.75
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 495.74 (Adapted Stein & Brown method)
Melting Pt (deg C): 210.61 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.76E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 5.01E-008 (Modified Grain method)
Subcooled liquid VP: 3.52E-008 mm Hg (25 deg C, Mod-Grain method)
: 4.69E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 7.089
log Kow used: 3.75 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 19.429 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Vinyl/Allyl Ethers
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.86E-010 atm-m3/mole (9.99E-005 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: 2.138E-011 atm-m3/mole (2.166E-006 Pa-m3/mole)
VP: 3.76E-010 mm Hg (source: MPBPVP)
WS: 7.09 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.75 (KowWin est)
Log Kaw used: -7.395 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.145
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8300
Biowin2 (Non-Linear Model) : 0.9354
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3536 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4741 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.1000
Biowin6 (MITI Non-Linear Model): 0.0103
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.8301
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): 4.69E-006 Pa (3.52E-008 mm Hg)
Log Koa (Koawin est ): 11.145
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.639
Octanol/air (Koa) model: 0.0343
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.958
Mackay model : 0.981
Octanol/air (Koa) model: 0.733
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 72.0763 E-12 cm3/molecule-sec
Half-Life = 0.148 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.781 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 5.687500 E-17 cm3/molecule-sec
Half-Life = 0.201 Days (at 7E11 mol/cm3)
Half-Life = 4.836 Hrs
Fraction sorbed to airborne particulates (phi):
0.97 (Junge-Pankow, Mackay avg)
0.733 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.274E+004 L/kg (MCI method)
Log Koc: 4.357 (MCI method)
Koc : 764.1 L/kg (Kow method)
Log Koc: 2.883 (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 v3.01):
Log BCF from regression-based method = 2.140 (BCF = 138.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.2589 days (HL = 0.05509 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.365 (BCF = 23.16)
Log BAF Arnot-Gobas method (upper trophic) = 1.365 (BAF = 23.16)
log Kow used: 3.75 (estimated)
Volatilization from Water:
Henry LC: 9.86E-010 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.039E+006 hours (4.331E+004 days)
Half-Life from Model Lake : 1.134E+007 hours (4.724E+005 days)
Removal In Wastewater Treatment:
Total removal: 20.08 percent
Total biodegradation: 0.24 percent
Total sludge adsorption: 19.84 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 0.0516 2.05 1000
Water 12.3 900 1000
Soil 71.5 1.8e+003 1000
Sediment 16.1 8.1e+003 0
Persistence Time: 1.45e+003 hr