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CAS Number: 16283-36-6
SMILES : [Zn](OC(=O)c1ccccc1O)OC(=O)c2ccccc2O
CHEM : Zinc, bis(2-hydroxybenzoato-O1,o2)-, (T-4)-
MOL FOR: C14 H10 O6 Zn1
MOL WT : 339.62
------------------------------ 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) = 3.18
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 518.88 (Adapted Stein & Brown method)
Melting Pt (deg C): 221.42 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.28E-012 (Modified Grain method)
VP (Pa, 25 deg C) : 1.71E-010 (Modified Grain method)
Subcooled liquid VP: 1.61E-010 mm Hg (25 deg C, Mod-Grain method)
: 2.15E-008 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 51.97
log Kow used: 3.18 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 133.29 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
SHOULD NOT BE PROFILED
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : Incomplete
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: 1.101E-014 atm-m3/mole (1.115E-009 Pa-m3/mole)
VP: 1.28E-012 mm Hg (source: MPBPVP)
WS: 52 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8175
Biowin2 (Non-Linear Model) : 0.5008
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5614 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4371 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.1040
Biowin6 (MITI Non-Linear Model): 0.0048
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2341
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): 2.15E-008 Pa (1.61E-010 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 140
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 61.0417 E-12 cm3/molecule-sec
Half-Life = 0.175 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.103 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
not available (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 287.3 L/kg (MCI method)
Log Koc: 2.458 (MCI method)
Koc : 362.4 L/kg (Kow method)
Log Koc: 2.559 (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 = 1.768 (BCF = 58.55 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0994 days (HL = 0.07954 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.441 (BCF = 27.58)
Log BAF Arnot-Gobas method (upper trophic) = 1.441 (BAF = 27.58)
log Kow used: 3.18 (estimated)
Volatilization from Water:
Henry LC: 1.1E-014 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 9.803E+010 hours (4.085E+009 days)
Half-Life from Model Lake : 1.069E+012 hours (4.456E+010 days)
Removal In Wastewater Treatment:
Total removal: 7.55 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 7.41 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 0.000686 4.2 1000
Water 13.6 900 1000
Soil 86.2 1.8e+003 1000
Sediment 0.22 8.1e+003 0
Persistence Time: 1.74e+003 hr