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: 64026-45-5
SMILES : CC1CC(=O)C(O1)C
CHEM : 2,5-dimethyloxolan-3-one
MOL FOR: C6 H10 O2
MOL WT : 114.15
------------------------------ 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) = 0.22
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 167.90 (Adapted Stein & Brown method)
Melting Pt (deg C): -14.98 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.3 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 307 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 6.802e+004
log Kow used: 0.22 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.0506e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.19E-006 atm-m3/mole (3.23E-001 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: 5.079E-006 atm-m3/mole (5.146E-001 Pa-m3/mole)
VP: 2.3 mm Hg (source: MPBPVP)
WS: 6.8E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.22 (KowWin est)
Log Kaw used: -3.885 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.105
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3527
Biowin2 (Non-Linear Model) : 0.0762
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9158 (weeks )
Biowin4 (Primary Survey Model) : 3.6511 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5372
Biowin6 (MITI Non-Linear Model): 0.4933
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0133
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): 280 Pa (2.1 mm Hg)
Log Koa (Koawin est ): 4.105
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.07E-008
Octanol/air (Koa) model: 3.13E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.87E-007
Mackay model : 8.57E-007
Octanol/air (Koa) model: 2.5E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 36.4671 E-12 cm3/molecule-sec
Half-Life = 0.293 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.520 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
6.22E-007 (Junge-Pankow, Mackay avg)
2.5E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.366 L/kg (MCI method)
Log Koc: 0.527 (MCI method)
Koc : 14.18 L/kg (Kow method)
Log Koc: 1.152 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.3531 days (HL = 0.04435 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.003 (BCF = 1.006)
Log BAF Arnot-Gobas method (upper trophic) = 0.003 (BAF = 1.006)
log Kow used: 0.22 (estimated)
Volatilization from Water:
Henry LC: 3.19E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 197.2 hours (8.216 days)
Half-Life from Model Lake : 2241 hours (93.36 days)
Removal In Wastewater Treatment:
Total removal: 2.03 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 percent
Total to Air: 0.18 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.967 7.04 1000
Water 44.7 360 1000
Soil 54.3 720 1000
Sediment 0.0881 3.24e+003 0
Persistence Time: 347 hr