This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 87-16-1
SMILES : Oc1c(C(=O)Oc2c(OC)cccc2)cccc1
CHEM : (2-methoxyphenyl) 2-hydroxybenzoate
MOL FOR: C14 H12 O4
MOL WT : 244.25
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 3.90
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 366.92 (Adapted Stein & Brown method)
Melting Pt (deg C): 129.44 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.16E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000155 (Modified Grain method)
Subcooled liquid VP: 1.29E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00172 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 45.09
log Kow used: 3.90 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 40.609 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Phenols
Salicylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.94E-008 atm-m3/mole (1.01E-002 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: 8.268E-009 atm-m3/mole (8.378E-004 Pa-m3/mole)
VP: 1.16E-006 mm Hg (source: MPBPVP)
WS: 45.1 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.90 (KowWin est)
Log Kaw used: -5.391 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.291
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0532
Biowin2 (Non-Linear Model) : 0.9989
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7979 (weeks )
Biowin4 (Primary Survey Model) : 3.8411 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6548
Biowin6 (MITI Non-Linear Model): 0.6709
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4237
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.00172 Pa (1.29E-005 mm Hg)
Log Koa (Koawin est ): 9.291
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00174
Octanol/air (Koa) model: 0.00048
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0593
Mackay model : 0.122
Octanol/air (Koa) model: 0.037
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 47.1455 E-12 cm3/molecule-sec
Half-Life = 0.227 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.722 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.0909 (Junge-Pankow, Mackay avg)
0.037 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1182 L/kg (MCI method)
Log Koc: 3.073 (MCI method)
Koc : 1736 L/kg (Kow method)
Log Koc: 3.239 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.080E-001 L/mol-sec
Kb Half-Life at pH 8: 19.660 days
Kb Half-Life at pH 7: 196.599 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.241 (BCF = 174.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.7464 days (HL = 0.1793 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.847 (BCF = 70.23)
Log BAF Arnot-Gobas method (upper trophic) = 1.847 (BAF = 70.23)
log Kow used: 3.90 (estimated)
Volatilization from Water:
Henry LC: 9.94E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 9207 hours (383.6 days)
Half-Life from Model Lake : 1.006E+005 hours (4190 days)
Removal In Wastewater Treatment:
Total removal: 25.72 percent
Total biodegradation: 0.29 percent
Total sludge adsorption: 25.43 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 0.394 5.45 1000
Water 22.6 360 1000
Soil 76.1 720 1000
Sediment 0.925 3.24e+003 0
Persistence Time: 516 hr