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CAS Number: 62-38-4

SMILES : CC(=O)O[Hg]c1ccccc1

CHEM : Phenylmercuric acetate

MOL FOR: C8 H8 O2 Hg1

MOL WT : 336.74

------------------------------ 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) = 0.89

Log Kow (Exper. database match) = 0.71

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 290.77 (Adapted Stein & Brown method)

Melting Pt (deg C): 65.81 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000157 (Modified Grain method)

VP (Pa, 25 deg C) : 0.021 (Modified Grain method)

MP (exp database): 153 deg C

VP (exp database): 6.00E-06 mm Hg (8.00E-004 Pa) at 20 deg C

Subcooled liquid VP: 0.000111 mm Hg (20 deg C, exp database VP )

: 0.0148 Pa (20 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 1843

log Kow used: 0.71 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 4370 mg/L (15 deg C)

Exper. Ref: TOMLIN,C (1994)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1164.7 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 5.87E-010 atm-m3/mole (5.95E-005 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 5.66E-10 atm-m3/mole (5.73E-005 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: 3.774E-008 atm-m3/mole (3.824E-003 Pa-m3/mole)

VP: 0.000157 mm Hg (source: MPBPVP)

WS: 1.84E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.71 (exp database)

Log Kaw used: -7.636 (exp database)

Log Koa (KOAWIN v1.10 estimate): 8.346

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7153

Biowin2 (Non-Linear Model) : 0.5065

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4770 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3668 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.2482

Biowin6 (MITI Non-Linear Model): 0.0014

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4975

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): 0.0148 Pa (0.000111 mm Hg)

Log Koa (Koawin est ): 8.346

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

Mackay model : 0.000203

Octanol/air (Koa) model: 5.45E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00727

Mackay model : 0.016

Octanol/air (Koa) model: 0.00434

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 1.9920 E-12 cm3/molecule-sec

Half-Life = 5.369 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 64.434 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0116 (Junge-Pankow, Mackay avg)

0.00434 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 56.44 L/kg (MCI method)

Log Koc: 1.752 (MCI method)

Koc : 12.26 L/kg (Kow method)

Log Koc: 1.089 (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 = 2.000 (BCF = 100 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.6363 days (HL = 0.0231 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.061 (BCF = 1.15)

Log BAF Arnot-Gobas method (upper trophic) = 0.061 (BAF = 1.15)

log Kow used: 0.71 (expkow database)

Volatilization from Water:

Henry LC: 5.66E-010 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.898E+006 hours (7.909E+004 days)

Half-Life from Model Lake : 2.071E+007 hours (8.628E+005 days)

Removal In Wastewater Treatment:

Total removal: 1.87 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.77 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 0.00518 129 1000

Water 20.7 900 1000

Soil 79.2 1.8e+003 1000

Sediment 0.0951 8.1e+003 0

Persistence Time: 1.49e+003 hr

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