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: 7493-80-3
SMILES : CC(C)CC(=O)OCC(=Cc1ccccc1)CCCCC
CHEM : Butanoic acid, 3-methyl-, 2-(phenylmethylene)heptyl ester
MOL FOR: C19 H28 O2
MOL WT : 288.43
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 6.76
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 356.93 (Adapted Stein & Brown method)
Melting Pt (deg C): 80.09 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.7E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0036 (Modified Grain method)
Subcooled liquid VP: 9.03E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.012 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.02419
log Kow used: 6.76 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.041888 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.17E-004 atm-m3/mole (1.19E+001 Pa-m3/mole)
Group Method: 6.74E-005 atm-m3/mole (6.83E+000 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: 4.236E-004 atm-m3/mole (4.292E+001 Pa-m3/mole)
VP: 2.7E-005 mm Hg (source: MPBPVP)
WS: 0.0242 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.76 (KowWin est)
Log Kaw used: -2.320 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.080
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0209
Biowin2 (Non-Linear Model) : 0.9987
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0223 (weeks )
Biowin4 (Primary Survey Model) : 3.9345 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4921
Biowin6 (MITI Non-Linear Model): 0.4526
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1091
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): 0.012 Pa (9.03E-005 mm Hg)
Log Koa (Koawin est ): 9.080
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000249
Octanol/air (Koa) model: 0.000295
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00892
Mackay model : 0.0195
Octanol/air (Koa) model: 0.0231
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 98.5955 E-12 cm3/molecule-sec
Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.302 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec
Half-Life = 0.013 Days (at 7E11 mol/cm3)
Half-Life = 18.599 Min
Fraction sorbed to airborne particulates (phi):
0.0142 (Junge-Pankow, Mackay avg)
0.0231 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.758E+004 L/kg (MCI method)
Log Koc: 4.575 (MCI method)
Koc : 3.969E+004 L/kg (Kow method)
Log Koc: 4.599 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.834E-002 L/mol-sec
Kb Half-Life at pH 8: 165.952 days
Kb Half-Life at pH 7: 4.544 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 4.127 (BCF = 1.34e+004 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1634 days (HL = 1.457 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.439 (BCF = 274.8)
Log BAF Arnot-Gobas method (upper trophic) = 2.632 (BAF = 428.5)
log Kow used: 6.76 (estimated)
Volatilization from Water:
Henry LC: 6.74E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 16.49 hours
Half-Life from Model Lake : 322.2 hours (13.43 days)
Removal In Wastewater Treatment:
Total removal: 93.71 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 92.92 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0285 0.277 1000
Water 18.2 360 1000
Soil 66.6 720 1000
Sediment 15.2 3.24e+003 0
Persistence Time: 520 hr