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CAS Number: 26444-49-5

SMILES : O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3C

CHEM : Phosphoric acid, methylphenyl diphenyl ester

MOL FOR: C19 H17 O4 P1

MOL WT : 340.32

------------------------------ 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) = 5.25

Log Kow (Exper. database match) = 4.51

Exper. Ref: SAEGER,VW ET AL. (1979)

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

Boiling Pt (deg C): 452.87 (Adapted Stein & Brown method)

Melting Pt (deg C): 87.63 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.04E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 1.39E-005 (Modified Grain method)

VP (exp database): 4.70E-06 mm Hg (6.27E-004 Pa) at 25 deg C

Subcooled liquid VP: 1.96E-005 mm Hg (25 deg C, exp database VP )

: 0.00261 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 0.9973

log Kow used: 4.51 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 0.24 mg/L (25 deg C)

Exper. Ref: EPA

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.454 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Esters (phosphate)

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

Bond Method : 4.39E-008 atm-m3/mole (4.45E-003 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 4.21E-08 atm-m3/mole (4.27E-003 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: 4.670E-008 atm-m3/mole (4.731E-003 Pa-m3/mole)

VP: 1.04E-007 mm Hg (source: MPBPVP)

WS: 0.997 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.51 (exp database)

Log Kaw used: -5.764 (exp database)

Log Koa (KOAWIN v1.10 estimate): 10.274

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.2103

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5700 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7633 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.0109

Biowin6 (MITI Non-Linear Model): 0.0151

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0917

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): 0.00261 Pa (1.96E-005 mm Hg)

Log Koa (Koawin est ): 10.274

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

Mackay model : 0.00115

Octanol/air (Koa) model: 0.00461

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0398

Mackay model : 0.0841

Octanol/air (Koa) model: 0.27

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.7946 E-12 cm3/molecule-sec

Half-Life = 0.907 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 10.882 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.062 (Junge-Pankow, Mackay avg)

0.27 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.758E+004 L/kg (MCI method)

Log Koc: 4.245 (MCI method)

Koc : 1561 L/kg (Kow method)

Log Koc: 3.193 (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 = 1.818 (BCF = 65.74 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2962 days (HL = 0.5056 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.329 (BCF = 213.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.329 (BAF = 213.5)

log Kow used: 4.51 (expkow database)

Volatilization from Water:

Henry LC: 4.21E-008 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2.566E+004 hours (1069 days)

Half-Life from Model Lake : 2.801E+005 hours (1.167E+004 days)

Removal In Wastewater Treatment:

Total removal: 56.56 percent

Total biodegradation: 0.53 percent

Total sludge adsorption: 56.03 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 0.251 21.8 1000

Water 11.5 900 1000

Soil 76.6 1.8e+003 1000

Sediment 11.7 8.1e+003 0

Persistence Time: 1.62e+003 hr

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