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: 003488-00-4
SMILES : CCCCCCOC(=O)C=Cc1ccccc1
CHEM :
MOL FOR: C15 H20 O2
MOL WT : 232.33
------------------------------ 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) = 4.81
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 318.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 60.86 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000334 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0446 (Modified Grain method)
Subcooled liquid VP: 0.000721 mm Hg (25 deg C, Mod-Grain method)
: 0.0961 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.296
log Kow used: 4.81 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.7227 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.71E-005 atm-m3/mole (1.73E+000 Pa-m3/mole)
Group Method: 4.35E-006 atm-m3/mole (4.41E-001 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: 4.447E-005 atm-m3/mole (4.506E+000 Pa-m3/mole)
VP: 0.000334 mm Hg (source: MPBPVP)
WS: 2.3 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.81 (KowWin est)
Log Kaw used: -3.155 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.965
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0476
Biowin2 (Non-Linear Model) : 0.9994
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1463 (weeks )
Biowin4 (Primary Survey Model) : 4.0155 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6657
Biowin6 (MITI Non-Linear Model): 0.7483
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3346
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): 0.0961 Pa (0.000721 mm Hg)
Log Koa (Koawin est ): 7.965
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.12E-005
Octanol/air (Koa) model: 2.26E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00113
Mackay model : 0.00249
Octanol/air (Koa) model: 0.00181
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 28.9665 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 31.6265 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 4.431 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 4.058 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.050000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 1.091 Days (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi):
0.00181 (Junge-Pankow, Mackay avg)
0.00181 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4396 L/kg (MCI method)
Log Koc: 3.643 (MCI method)
Koc : 3312 L/kg (Kow method)
Log Koc: 3.520 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 9.614E-003 L/mol-sec
Kb Half-Life at pH 8: 2.285 years
Kb Half-Life at pH 7: 22.845 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.842 (BCF = 695.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5155 days (HL = 0.3052 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.103 (BCF = 126.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.103 (BAF = 126.7)
log Kow used: 4.81 (estimated)
Volatilization from Water:
Henry LC: 4.35E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 206.7 hours (8.613 days)
Half-Life from Model Lake : 2383 hours (99.28 days)
Removal In Wastewater Treatment:
Total removal: 70.81 percent
Total biodegradation: 0.63 percent
Total sludge adsorption: 70.12 percent
Total to Air: 0.06 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.612 6.62 1000
Water 23.5 360 1000
Soil 72.7 720 1000
Sediment 3.18 3.24e+003 0
Persistence Time: 477 hr