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: 13402-02-3
SMILES : O=C(OCCCCCCCCCCCCCCCC)C=C
CHEM : 2-Propenoic acid, hexadecyl ester
MOL FOR: C19 H36 O2
MOL WT : 296.50
------------------------------ 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) = 8.09
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 348.12 (Adapted Stein & Brown method)
Melting Pt (deg C): 80.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.33E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00577 (Modified Grain method)
Subcooled liquid VP: 0.000146 mm Hg (25 deg C, Mod-Grain method)
: 0.0195 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.001574
log Kow used: 8.09 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0011938 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.48E-003 atm-m3/mole (6.57E+002 Pa-m3/mole)
Group Method: 7.92E-003 atm-m3/mole (8.02E+002 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: 1.073E-002 atm-m3/mole (1.087E+003 Pa-m3/mole)
VP: 4.33E-005 mm Hg (source: MPBPVP)
WS: 0.00157 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.09 (KowWin est)
Log Kaw used: -0.577 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.667
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8890
Biowin2 (Non-Linear Model) : 0.9912
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9825 (weeks )
Biowin4 (Primary Survey Model) : 3.9180 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.9340
Biowin6 (MITI Non-Linear Model): 0.9507
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7799
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): 0.0195 Pa (0.000146 mm Hg)
Log Koa (Koawin est ): 8.667
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000154
Octanol/air (Koa) model: 0.000114
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00554
Mackay model : 0.0122
Octanol/air (Koa) model: 0.00904
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 30.7288 E-12 cm3/molecule-sec
Half-Life = 0.348 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.177 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
Half-Life = 6.549 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
0.00886 (Junge-Pankow, Mackay avg)
0.00904 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4.747E+004 L/kg (MCI method)
Log Koc: 4.676 (MCI method)
Koc : 2.159E+005 L/kg (Kow method)
Log Koc: 5.334 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 9.224E-003 L/mol-sec
Kb Half-Life at pH 8: 2.381 years
Kb Half-Life at pH 7: 23.812 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.991 (BCF = 980.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3684 days (HL = 2.336 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.563 (BCF = 36.55)
Log BAF Arnot-Gobas method (upper trophic) = 2.525 (BAF = 335.3)
log Kow used: 8.09 (estimated)
Volatilization from Water:
Henry LC: 0.00792 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.884 hours
Half-Life from Model Lake : 164.9 hours (6.873 days)
Removal In Wastewater Treatment:
Total removal: 94.03 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.20 percent
Total to Air: 0.05 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.837 7.93 1000
Water 21.9 360 1000
Soil 73 720 1000
Sediment 4.27 3.24e+003 0
Persistence Time: 461 hr