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: 72939-63-0
SMILES : O=C(OCC=C)C#CCCCCCC
CHEM : 2-Nonynoic acid, 2-propenyl ester
MOL FOR: C12 H18 O2
MOL WT : 194.28
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 3.94
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 258.98 (Adapted Stein & Brown method)
Melting Pt (deg C): 57.87 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0083 (Modified Grain method)
VP (Pa, 25 deg C) : 1.11 (Modified Grain method)
Subcooled liquid VP: 0.0167 mm Hg (25 deg C, Mod-Grain method)
: 2.23 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 20.15
log Kow used: 3.94 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 14.476 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.76E-004 atm-m3/mole (1.78E+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: 1.053E-004 atm-m3/mole (1.067E+001 Pa-m3/mole)
VP: 0.0083 mm Hg (source: MPBPVP)
WS: 20.1 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.94 (KowWin est)
Log Kaw used: -2.143 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.083
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9377
Biowin2 (Non-Linear Model) : 0.9979
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2084 (weeks )
Biowin4 (Primary Survey Model) : 4.0655 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7934
Biowin6 (MITI Non-Linear Model): 0.8855
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5460
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): 2.23 Pa (0.0167 mm Hg)
Log Koa (Koawin est ): 6.083
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.35E-006
Octanol/air (Koa) model: 2.97E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.87E-005
Mackay model : 0.000108
Octanol/air (Koa) model: 2.38E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 43.9485 E-12 cm3/molecule-sec
Half-Life = 0.243 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.921 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.203000 E-17 cm3/molecule-sec
Half-Life = 0.953 Days (at 7E11 mol/cm3)
Half-Life = 22.863 Hrs
Fraction sorbed to airborne particulates (phi):
7.82E-005 (Junge-Pankow, Mackay avg)
2.38E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 711 L/kg (MCI method)
Log Koc: 2.852 (MCI method)
Koc : 1094 L/kg (Kow method)
Log Koc: 3.039 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.366E+000 L/mol-sec
Kb Half-Life at pH 8: 5.872 days
Kb Half-Life at pH 7: 58.719 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.267 (BCF = 185.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.8636 days (HL = 0.1369 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.742 (BCF = 55.25)
Log BAF Arnot-Gobas method (upper trophic) = 1.742 (BAF = 55.25)
log Kow used: 3.94 (estimated)
Volatilization from Water:
Henry LC: 0.000176 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 6.059 hours
Half-Life from Model Lake : 183 hours (7.624 days)
Removal In Wastewater Treatment:
Total removal: 32.32 percent
Total biodegradation: 0.28 percent
Total sludge adsorption: 26.26 percent
Total to Air: 5.77 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.658 4.65 1000
Water 20.4 360 1000
Soil 78.4 720 1000
Sediment 0.539 3.24e+003 0
Persistence Time: 417 hr