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CAS Num: 067874-67-3
SMILES : O=C(OC)c(c(N=CCCCCCCCCC)ccc1)c1
CHEM : Benzoic acid, 2-(decylideneamino)-, methyl ester
MOL FOR: C18 H27 N1 O2
MOL WT : 289.42
------------------------------ 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) = 5.75
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 368.70 (Adapted Stein & Brown method)
Melting Pt (deg C): 99.91 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 8.83E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00118 (Modified Grain method)
Subcooled liquid VP: 4.73E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00631 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.1742
log Kow used: 5.75 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.62465 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 : 1.01E-004 atm-m3/mole (1.02E+001 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: 1.930E-005 atm-m3/mole (1.956E+000 Pa-m3/mole)
VP: 8.83E-006 mm Hg (source: MPBPVP)
WS: 0.174 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.75 (KowWin est)
Log Kaw used: -2.384 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.134
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8924
Biowin2 (Non-Linear Model) : 0.9920
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9981 (weeks )
Biowin4 (Primary Survey Model) : 3.9282 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5732
Biowin6 (MITI Non-Linear Model): 0.6159
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1914
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.00631 Pa (4.73E-005 mm Hg)
Log Koa (Koawin est ): 8.134
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000476
Octanol/air (Koa) model: 3.34E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0169
Mackay model : 0.0367
Octanol/air (Koa) model: 0.00267
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 14.2843 E-12 cm3/molecule-sec
Half-Life = 0.749 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 8.986 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0268 (Junge-Pankow, Mackay avg)
0.00267 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4.652E+004 L/kg (MCI method)
Log Koc: 4.668 (MCI method)
Koc : 1.096E+004 L/kg (Kow method)
Log Koc: 4.040 (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 = 2.086 (BCF = 121.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1086 days (HL = 0.7788 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.468 (BCF = 293.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.476 (BAF = 299)
log Kow used: 5.75 (estimated)
Volatilization from Water:
Henry LC: 0.000101 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 11.6 hours
Half-Life from Model Lake : 269.2 hours (11.22 days)
Removal In Wastewater Treatment:
Total removal: 90.77 percent
Total biodegradation: 0.76 percent
Total sludge adsorption: 89.83 percent
Total to Air: 0.18 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.43 18 1000
Water 15.6 360 1000
Soil 63.3 720 1000
Sediment 19.7 3.24e+003 0
Persistence Time: 554 hr