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CAS Num: 000112-62-9


CHEM : 9-Octadecenoic acid (Z)-, methyl ester

MOL FOR: C19 H36 O2

MOL WT : 296.50

------------------------------ 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) = 8.02

Log Kow (Exper. database match) = 7.45

Exper. Ref: KROP,HB ET AL. (1997)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 352.56 (Adapted Stein & Brown method)

Melting Pt (deg C): 80.09 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000115 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0153 (Modified Grain method)

MP (exp database): -19.9 deg C

BP (exp database): 218.5 @ 20 mm Hg deg C

VP (exp database): 6.29E-06 mm Hg (8.39E-004 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 0.005588

log Kow used: 7.45 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0025525 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.44E-002 atm-m3/mole (1.45E+003 Pa-m3/mole)

Group Method: 7.73E-003 atm-m3/mole (7.84E+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: 8.029E-003 atm-m3/mole (8.135E+002 Pa-m3/mole)

VP: 0.000115 mm Hg (source: MPBPVP)

WS: 0.00559 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 7.45 (exp database)

Log Kaw used: -0.230 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.680

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) : 0.8788

Biowin6 (MITI Non-Linear Model): 0.9256

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7479

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): 0.000839 Pa (6.29E-006 mm Hg)

Log Koa (Koawin est ): 7.680

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.00358

Octanol/air (Koa) model: 1.17E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.114

Mackay model : 0.222

Octanol/air (Koa) model: 0.000939

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 74.7180 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 82.3180 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.718 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.559 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.168 (Junge-Pankow, Mackay avg)

0.000939 (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 : 9.557E+004 L/kg (Kow method)

Log Koc: 4.980 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 3.016E-002 L/mol-sec

Kb Half-Life at pH 8: 266.000 days

Kb Half-Life at pH 7: 7.283 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.307 (BCF = 2028 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2924 days (HL = 1.961 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.071 (BCF = 117.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.700 (BAF = 500.6)

log Kow used: 7.45 (expkow database)

Volatilization from Water:

Henry LC: 0.00773 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.888 hours

Half-Life from Model Lake : 165 hours (6.874 days)

Removal In Wastewater Treatment:

Total removal: 94.00 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.02 percent

Total to Air: 0.21 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.168 1.31 1000

Water 17.7 360 1000

Soil 72.1 720 1000

Sediment 10.1 3.24e+003 0

Persistence Time: 467 hr

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