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CAS Number: 15165-67-0

SMILES : c1cc(CL)cc(CL)c1OC(C)C(=O)O

CHEM : Dichlorprop-P

MOL FOR: C9 H8 CL2 O3

MOL WT : 235.07

------------------------------ 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) = 3.03

Log Kow (Exper. database match) = 3.43

Exper. Ref: ILCHMANN,A ET AL. (1993)

Log Kow (Exper. database match) = -0.25

Exper. Ref: TOMLIN,C (1997)

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

Boiling Pt (deg C): 334.17 (Adapted Stein & Brown method)

Melting Pt (deg C): 110.38 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.39E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00452 (Modified Grain method)

MP (exp database): 122 deg C

VP (exp database): 4.65E-07 mm Hg (6.20E-005 Pa) at 20 deg C

Subcooled liquid VP: 4.23E-006 mm Hg (20 deg C, exp database VP )

: 0.000565 Pa (20 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 1.16e+005

log Kow used: -0.25 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 350 mg/L (20 deg C)

Exper. Ref: WORTHING,CR & WALKER,SB (1987)

Water Sol (Exper. database match) = 590 mg/L (20 deg C)

Exper. Ref: TOMLIN,C (1997)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 351.81 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 1.22E-008 atm-m3/mole (1.24E-003 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: 9.039E-011 atm-m3/mole (9.159E-006 Pa-m3/mole)

VP: 3.39E-005 mm Hg (source: MPBPVP)

WS: 1.16E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.25 (exp database)

Log Kaw used: -6.302 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.052

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4754

Biowin2 (Non-Linear Model) : 0.1871

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5730 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6406 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3759

Biowin6 (MITI Non-Linear Model): 0.1233

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1354

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): 0.000564 Pa (4.23E-006 mm Hg)

Log Koa (Koawin est ): 6.052

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

Mackay model : 0.00532

Octanol/air (Koa) model: 2.77E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.161

Mackay model : 0.299

Octanol/air (Koa) model: 2.21E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.3959 E-12 cm3/molecule-sec

Half-Life = 0.939 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 11.263 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.23 (Junge-Pankow, Mackay avg)

2.21E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 48.51 L/kg (MCI method)

Log Koc: 1.686 (MCI method)

Koc : 1.184 L/kg (Kow method)

Log Koc: 0.073 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0580 days (HL = 1.143 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.021 (BCF = 0.9519)

Log BAF Arnot-Gobas method (upper trophic) = -0.021 (BAF = 0.9519)

log Kow used: -0.25 (expkow database)

Volatilization from Water:

Henry LC: 1.22E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 7.358E+004 hours (3066 days)

Half-Life from Model Lake : 8.028E+005 hours (3.345E+004 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.103 22.5 1000

Water 22.5 900 1000

Soil 77.3 1.8e+003 1000

Sediment 0.0951 8.1e+003 0

Persistence Time: 1.35e+003 hr

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