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CAS Number: 2921-88-2

SMILES : CCOP(=S)(OCC)Oc1nc(CL)c(CL)cc1CL

CHEM : Chlorpyrifos

MOL FOR: C9 H11 CL3 N1 O3 P1 S1

MOL WT : 350.59

------------------------------ 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) = 5.11

Log Kow (Exper. database match) = 4.96

Exper. Ref: SANGSTER (1994)

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

Boiling Pt (deg C): 377.43 (Adapted Stein & Brown method)

Melting Pt (deg C): 82.93 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.05E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00273 (Modified Grain method)

MP (exp database): 42 deg C

VP (exp database): 2.03E-05 mm Hg (2.71E-003 Pa) at 25 deg C

Subcooled liquid VP: 2.99E-005 mm Hg (25 deg C, exp database VP )

: 0.00399 Pa (25 deg C, exp database VP )

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.357

log Kow used: 4.96 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1.12 mg/L (24 deg C)

Exper. Ref: YALKOWSKY,SH & HE,Y (2003)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 11.011 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Nearest analog analysis: pesticides

Esters, Monothiophosphates

Halopyrdines

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

Bond Method : 2.52E-006 atm-m3/mole (2.56E-001 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 2.93E-06 atm-m3/mole (2.97E-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: 2.649E-005 atm-m3/mole (2.684E+000 Pa-m3/mole)

VP: 2.05E-005 mm Hg (source: MPBPVP)

WS: 0.357 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.96 (exp database)

Log Kaw used: -3.922 (exp database)

Log Koa (KOAWIN v1.10 estimate): 8.882

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1928

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.7442 (recalcitrant)

Biowin4 (Primary Survey Model) : 3.2925 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.0832

Biowin6 (MITI Non-Linear Model): 0.0014

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5947

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.00399 Pa (2.99E-005 mm Hg)

Log Koa (Koawin est ): 8.882

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

Mackay model : 0.000753

Octanol/air (Koa) model: 0.000187

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0265

Mackay model : 0.0568

Octanol/air (Koa) model: 0.0147

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 91.6678 E-12 cm3/molecule-sec

Half-Life = 0.117 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.400 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0416 (Junge-Pankow, Mackay avg)

0.0147 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7283 L/kg (MCI method)

Log Koc: 3.862 (MCI method)

Koc : 7901 L/kg (Kow method)

Log Koc: 3.898 (Kow method)

Experimental Log Koc: 3.7 (database)

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

Phosphorus esters hydrolysis rates available (see Full Output)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.940 (BCF = 870.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3225 days (HL = 2.101 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.269 (BCF = 1859)

Log BAF Arnot-Gobas method (upper trophic) = 3.327 (BAF = 2122)

log Kow used: 4.96 (expkow database)

Volatilization from Water:

Henry LC: 2.93E-006 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 376.1 hours (15.67 days)

Half-Life from Model Lake : 4259 hours (177.5 days)

Removal In Wastewater Treatment:

Total removal: 76.41 percent

Total biodegradation: 0.67 percent

Total sludge adsorption: 75.71 percent

Total to Air: 0.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0288 2.8 1000

Water 6.08 4.32e+003 1000

Soil 88.9 8.64e+003 1000

Sediment 4.96 3.89e+004 0

Persistence Time: 4.59e+003 hr

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