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: 84314-29-4
SMILES : CCCC(CC(=O)OCC)O
CHEM :
MOL FOR: C8 H16 O3
MOL WT : 160.21
------------------------------ 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) = 1.29
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 226.30 (Adapted Stein & Brown method)
Melting Pt (deg C): 6.69 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0147 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.96 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.748e+004
log Kow used: 1.29 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 20501 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.64E-008 atm-m3/mole (2.68E-003 Pa-m3/mole)
Group Method: 1.20E-008 atm-m3/mole (1.21E-003 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: 1.773E-007 atm-m3/mole (1.796E-002 Pa-m3/mole)
VP: 0.0147 mm Hg (source: MPBPVP)
WS: 1.75E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.29 (KowWin est)
Log Kaw used: -5.967 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.257
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0042
Biowin2 (Non-Linear Model) : 0.9974
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1453 (weeks )
Biowin4 (Primary Survey Model) : 3.9750 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8882
Biowin6 (MITI Non-Linear Model): 0.9529
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9197
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): 1.81 Pa (0.0136 mm Hg)
Log Koa (Koawin est ): 7.257
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.65E-006
Octanol/air (Koa) model: 4.44E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.98E-005
Mackay model : 0.000132
Octanol/air (Koa) model: 0.000355
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 15.1596 E-12 cm3/molecule-sec
Half-Life = 0.706 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 8.467 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
9.6E-005 (Junge-Pankow, Mackay avg)
0.000355 (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 : 14.51 L/kg (Kow method)
Log Koc: 1.162 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.020E-001 L/mol-sec
Kb Half-Life at pH 8: 78.647 days
Kb Half-Life at pH 7: 2.153 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.518 (BCF = 3.299 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.9777 days (HL = 0.01053 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.157 (BCF = 1.437)
Log BAF Arnot-Gobas method (upper trophic) = 0.157 (BAF = 1.437)
log Kow used: 1.29 (estimated)
Volatilization from Water:
Henry LC: 1.2E-008 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 6.176E+004 hours (2573 days)
Half-Life from Model Lake : 6.738E+005 hours (2.808E+004 days)
Removal In Wastewater Treatment:
Total removal: 1.93 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.83 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 0.223 16.9 1000
Water 31.7 360 1000
Soil 68 720 1000
Sediment 0.0713 3.24e+003 0
Persistence Time: 590 hr