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CAS Number: 115-96-8

SMILES : O=P(OCCCL)(OCCCL)OCCCL

CHEM : Ethanol, 2-chloro-, phosphate (3:1)

MOL FOR: C6 H12 CL3 O4 P1

MOL WT : 285.49

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 1.63

Log Kow (Exper. database match) = 1.44

Exper. Ref: CHEMICALS INSPECTION AND TESTING INSTITU (1992)

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

Boiling Pt (deg C): 351.67 (Adapted Stein & Brown method)

Melting Pt (deg C): 82.99 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000391 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0522 (Modified Grain method)

MP (exp database): -35 deg C

BP (exp database): 330 deg C

VP (exp database): 6.13E-02 mm Hg (8.17E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 877.9

log Kow used: 1.44 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 7000 mg/L ( deg C)

Exper. Ref: MUIR,DCG (1984)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5596.7 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

Esters (phosphate)

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

Bond Method : 2.55E-008 atm-m3/mole (2.58E-003 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 3.29E-06 atm-m3/mole (3.33E-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: 1.673E-007 atm-m3/mole (1.695E-002 Pa-m3/mole)

VP: 0.000391 mm Hg (source: MPBPVP)

WS: 878 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.44 (exp database)

Log Kaw used: -3.871 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.311

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5914

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2025 (months )

Biowin4 (Primary Survey Model) : 3.5994 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3173

Biowin6 (MITI Non-Linear Model): 0.0193

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.4751

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): 8.17 Pa (0.0613 mm Hg)

Log Koa (Koawin est ): 5.311

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

Mackay model : 3.67E-007

Octanol/air (Koa) model: 5.02E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.33E-005

Mackay model : 2.94E-005

Octanol/air (Koa) model: 4.02E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 21.9884 E-12 cm3/molecule-sec

Half-Life = 0.486 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.837 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.13E-005 (Junge-Pankow, Mackay avg)

4.02E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 388.3 L/kg (MCI method)

Log Koc: 2.589 (MCI method)

Koc : 66.83 L/kg (Kow method)

Log Koc: 1.825 (Kow method)

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 = -0.208 (BCF = 0.6197 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2023 days (HL = 0.06276 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.540 (BCF = 3.465)

Log BAF Arnot-Gobas method (upper trophic) = 0.540 (BAF = 3.465)

log Kow used: 1.44 (expkow database)

Volatilization from Water:

Henry LC: 3.29E-006 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 302.4 hours (12.6 days)

Half-Life from Model Lake : 3441 hours (143.4 days)

Removal In Wastewater Treatment:

Total removal: 2.14 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.86 percent

Total to Air: 0.19 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.332 11.7 1000

Water 16.3 1.44e+003 1000

Soil 83 2.88e+003 1000

Sediment 0.387 1.3e+004 0

Persistence Time: 1.49e+003 hr

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