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: 126-39-6
SMILES : O(CCO1)C1(CC)C
CHEM : 1,3-Dioxolane, 2-ethyl-2-methyl-
MOL FOR: C6 H12 O2
MOL WT : 116.16
------------------------------ 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) = 1.76
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 128.33 (Adapted Stein & Brown method)
Melting Pt (deg C): -33.29 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 22.2 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.96E+003 (Mean VP of Antoine & Grain methods)
BP (exp database): 116-117 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 3256
log Kow used: 1.76 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 16789 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.22E-005 atm-m3/mole (5.29E+000 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: 1.042E-003 atm-m3/mole (1.056E+002 Pa-m3/mole)
VP: 22.2 mm Hg (source: MPBPVP)
WS: 3.26E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.76 (KowWin est)
Log Kaw used: -2.671 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.431
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.1864
Biowin2 (Non-Linear Model) : 0.0007
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7130 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5072 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5268
Biowin6 (MITI Non-Linear Model): 0.5740
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3858
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 2.79E+003 Pa (20.9 mm Hg)
Log Koa (Koawin est ): 4.431
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.08E-009
Octanol/air (Koa) model: 6.62E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.89E-008
Mackay model : 8.61E-008
Octanol/air (Koa) model: 5.3E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 12.8823 E-12 cm3/molecule-sec
Half-Life = 0.830 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 9.963 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
6.25E-008 (Junge-Pankow, Mackay avg)
5.3E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 6.618 L/kg (MCI method)
Log Koc: 0.821 (MCI method)
Koc : 52.17 L/kg (Kow method)
Log Koc: 1.717 (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 v3.01):
Log BCF from regression-based method = 0.828 (BCF = 6.73 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9322 days (HL = 0.1169 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.740 (BCF = 5.493)
Log BAF Arnot-Gobas method (upper trophic) = 0.740 (BAF = 5.493)
log Kow used: 1.76 (estimated)
Volatilization from Water:
Henry LC: 5.22E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 13.19 hours
Half-Life from Model Lake : 234.2 hours (9.76 days)
Removal In Wastewater Treatment:
Total removal: 4.74 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.94 percent
Total to Air: 2.71 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.75 19.9 1000
Water 46.9 900 1000
Soil 50.2 1.8e+003 1000
Sediment 0.105 8.1e+003 0
Persistence Time: 443 hr