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: 85237-83-8
SMILES : O=C(OCC(=O)OCCCC)C
CHEM :
MOL FOR: C8 H14 O4
MOL WT : 174.20
------------------------------ 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) = 1.39
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 186.96 (Adapted Stein & Brown method)
Melting Pt (deg C): -71.54 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.687 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 91.7 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 3840
log Kow used: 1.39 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7098.1 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.91E-006 atm-m3/mole (7.01E-001 Pa-m3/mole)
Group Method: 2.18E-006 atm-m3/mole (2.21E-001 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: 4.101E-005 atm-m3/mole (4.155E+000 Pa-m3/mole)
VP: 0.687 mm Hg (source: MPBPVP)
WS: 3.84E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.39 (KowWin est)
Log Kaw used: -3.549 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.939
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1214
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3930 (days-weeks )
Biowin4 (Primary Survey Model) : 4.3234 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.0799
Biowin6 (MITI Non-Linear Model): 0.9844
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8069
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): 83.5 Pa (0.626 mm Hg)
Log Koa (Koawin est ): 4.939
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.59E-008
Octanol/air (Koa) model: 2.13E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.3E-006
Mackay model : 2.88E-006
Octanol/air (Koa) model: 1.71E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 5.0727 E-12 cm3/molecule-sec
Half-Life = 2.109 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 25.303 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.09E-006 (Junge-Pankow, Mackay avg)
1.71E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 36.54 L/kg (Kow method)
Log Koc: 1.563 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.913E+001 L/mol-sec
Kb Half-Life at pH 8: 10.065 hours
Kb Half-Life at pH 7: 4.194 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.582 (BCF = 3.821 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.4575 days (HL = 0.003488 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.136 (BCF = 1.368)
Log BAF Arnot-Gobas method (upper trophic) = 0.136 (BAF = 1.368)
log Kow used: 1.39 (estimated)
Volatilization from Water:
Henry LC: 6.91E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 113.2 hours (4.716 days)
Half-Life from Model Lake : 1345 hours (56.06 days)
Removal In Wastewater Treatment:
Total removal: 2.33 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.85 percent
Total to Air: 0.39 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 5.71 50.6 1000
Water 36.2 208 1000
Soil 58 416 1000
Sediment 0.0763 1.87e+003 0
Persistence Time: 257 hr