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: 84110-41-8
SMILES : CC=C(C)C(=O)OCCC(C)C=C
CHEM :
MOL FOR: C11 H18 O2
MOL WT : 182.26
------------------------------ 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) = 3.93
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 217.59 (Adapted Stein & Brown method)
Melting Pt (deg C): -19.76 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.148 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 19.8 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 23.49
log Kow used: 3.93 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 88.432 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.98E-004 atm-m3/mole (7.07E+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: 1.511E-003 atm-m3/mole (1.531E+002 Pa-m3/mole)
VP: 0.148 mm Hg (source: MPBPVP)
WS: 23.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.93 (KowWin est)
Log Kaw used: -1.545 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.475
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8350
Biowin2 (Non-Linear Model) : 0.9890
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9366 (weeks )
Biowin4 (Primary Survey Model) : 3.8137 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5878
Biowin6 (MITI Non-Linear Model): 0.6551
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3613
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): 18.4 Pa (0.138 mm Hg)
Log Koa (Koawin est ): 5.475
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.63E-007
Octanol/air (Koa) model: 7.33E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.89E-006
Mackay model : 1.3E-005
Octanol/air (Koa) model: 5.86E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 62.7916 E-12 cm3/molecule-sec
Half-Life = 0.170 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.044 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 8.593750 E-17 cm3/molecule-sec
Half-Life = 0.133 Days (at 7E11 mol/cm3)
Half-Life = 3.200 Hrs
Fraction sorbed to airborne particulates (phi):
9.47E-006 (Junge-Pankow, Mackay avg)
5.86E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 308.6 L/kg (MCI method)
Log Koc: 2.489 (MCI method)
Koc : 1080 L/kg (Kow method)
Log Koc: 3.033 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.658E-003 L/mol-sec
Kb Half-Life at pH 8: 13.243 years
Kb Half-Life at pH 7: 132.432 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.262 (BCF = 182.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5683 days (HL = 0.2702 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.009 (BCF = 102)
Log BAF Arnot-Gobas method (upper trophic) = 2.009 (BAF = 102)
log Kow used: 3.93 (estimated)
Volatilization from Water:
Henry LC: 0.000698 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.51 hours
Half-Life from Model Lake : 140.6 hours (5.858 days)
Removal In Wastewater Treatment:
Total removal: 41.68 percent
Total biodegradation: 0.25 percent
Total sludge adsorption: 24.30 percent
Total to Air: 17.13 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.443 1.8 1000
Water 22.5 360 1000
Soil 76.7 720 1000
Sediment 0.3 3.24e+003 0
Persistence Time: 317 hr