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: 60770-00-5
SMILES : Oc1cc(C)ccc1C(=O)OCC
CHEM : ethyl 2-hydroxy-4-methylbenzoate
MOL FOR: C10 H12 O3
MOL WT : 180.21
------------------------------ 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) = 3.64
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 285.13 (Adapted Stein & Brown method)
Melting Pt (deg C): 75.98 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000504 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0672 (Modified Grain method)
Subcooled liquid VP: 0.00153 mm Hg (25 deg C, Mod-Grain method)
: 0.205 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 162
log Kow used: 3.64 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 436.08 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 : 6.66E-006 atm-m3/mole (6.75E-001 Pa-m3/mole)
Group Method: 3.22E-009 atm-m3/mole (3.27E-004 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: 7.377E-007 atm-m3/mole (7.475E-002 Pa-m3/mole)
VP: 0.000504 mm Hg (source: MPBPVP)
WS: 162 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.64 (KowWin est)
Log Kaw used: -3.565 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.205
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0064
Biowin2 (Non-Linear Model) : 0.9976
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9227 (weeks )
Biowin4 (Primary Survey Model) : 3.7879 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6999
Biowin6 (MITI Non-Linear Model): 0.7981
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3770
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): 0.204 Pa (0.00153 mm Hg)
Log Koa (Koawin est ): 7.205
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.47E-005
Octanol/air (Koa) model: 3.94E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000531
Mackay model : 0.00118
Octanol/air (Koa) model: 0.000315
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 30.0632 E-12 cm3/molecule-sec
Half-Life = 0.356 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.269 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.000853 (Junge-Pankow, Mackay avg)
0.000315 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 257.5 L/kg (MCI method)
Log Koc: 2.411 (MCI method)
Koc : 1096 L/kg (Kow method)
Log Koc: 3.040 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.919E-002 L/mol-sec
Kb Half-Life at pH 8: 1.145 years
Kb Half-Life at pH 7: 11.447 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.070 (BCF = 117.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.3815 days (HL = 0.04154 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.246 (BCF = 17.63)
Log BAF Arnot-Gobas method (upper trophic) = 1.246 (BAF = 17.63)
log Kow used: 3.64 (estimated)
Volatilization from Water:
Henry LC: 6.66E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 119.4 hours (4.974 days)
Half-Life from Model Lake : 1415 hours (58.95 days)
Removal In Wastewater Treatment:
Total removal: 16.91 percent
Total biodegradation: 0.21 percent
Total sludge adsorption: 16.39 percent
Total to Air: 0.31 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.829 8.54 1000
Water 25.7 360 1000
Soil 73.1 720 1000
Sediment 0.297 3.24e+003 0
Persistence Time: 452 hr