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: 148527-38-2
SMILES : Oc1cc(ccc1OC)C(=O)OCC
CHEM :
MOL FOR: C10 H12 O4
MOL WT : 196.20
------------------------------ 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) = 2.31
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 300.82 (Adapted Stein & Brown method)
Melting Pt (deg C): 82.62 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000176 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0234 (Modified Grain method)
Subcooled liquid VP: 0.000624 mm Hg (25 deg C, Mod-Grain method)
: 0.0832 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 484.5
log Kow used: 2.31 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 748.99 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Phenols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.84E-010 atm-m3/mole (2.87E-005 Pa-m3/mole)
Group Method: 2.45E-009 atm-m3/mole (2.48E-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: 9.378E-008 atm-m3/mole (9.502E-003 Pa-m3/mole)
VP: 0.000176 mm Hg (source: MPBPVP)
WS: 485 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.31 (KowWin est)
Log Kaw used: -7.935 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.245
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0760
Biowin2 (Non-Linear Model) : 0.9994
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9041 (weeks )
Biowin4 (Primary Survey Model) : 3.9104 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8065
Biowin6 (MITI Non-Linear Model): 0.8752
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8472
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): 0.0832 Pa (0.000624 mm Hg)
Log Koa (Koawin est ): 10.245
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.61E-005
Octanol/air (Koa) model: 0.00432
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0013
Mackay model : 0.00288
Octanol/air (Koa) model: 0.257
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 9.1467 E-12 cm3/molecule-sec
Half-Life = 1.169 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 14.033 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.00209 (Junge-Pankow, Mackay avg)
0.257 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 102.8 L/kg (MCI method)
Log Koc: 2.012 (MCI method)
Koc : 229.1 L/kg (Kow method)
Log Koc: 2.360 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 7.430E-002 L/mol-sec
Kb Half-Life at pH 8: 107.965 days
Kb Half-Life at pH 7: 2.956 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.193 (BCF = 15.59 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.7463 days (HL = 0.01794 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.705 (BCF = 5.074)
Log BAF Arnot-Gobas method (upper trophic) = 0.705 (BAF = 5.074)
log Kow used: 2.31 (estimated)
Volatilization from Water:
Henry LC: 2.45E-009 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 3.347E+005 hours (1.395E+004 days)
Half-Life from Model Lake : 3.652E+006 hours (1.522E+005 days)
Removal In Wastewater Treatment:
Total removal: 2.66 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.56 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 0.0438 28.1 1000
Water 19.5 360 1000
Soil 80.4 720 1000
Sediment 0.116 3.24e+003 0
Persistence Time: 736 hr