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 Num: 000075-21-8
SMILES : O(C1)C1
CHEM : Oxirane
MOL FOR: C2 H4 O1
MOL WT : 44.05
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = -0.05
Log Kow (Exper. database match) = -0.30
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 12.29 (Adapted Stein & Brown method)
Melting Pt (deg C): -109.30 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.25E+003 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.67E+005 (Mean VP of Antoine & Grain methods)
MP (exp database): -111.7 deg C
BP (exp database): 10.6 deg C
VP (exp database): 1.31E+03 mm Hg (1.75E+005 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.374e+005
log Kow used: -0.30 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)
Exper. Ref: SCHULTZE,HC (1965)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.2072e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Epoxides, mono
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.20E-004 atm-m3/mole (1.22E+001 Pa-m3/mole)
Group Method: 5.23E-005 atm-m3/mole (5.30E+000 Pa-m3/mole)
Exper Database: 1.48E-04 atm-m3/mole (1.50E+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: 1.856E-004 atm-m3/mole (1.880E+001 Pa-m3/mole)
VP: 1.25E+003 mm Hg (source: MPBPVP)
WS: 2.37E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.30 (exp database)
Log Kaw used: -2.218 (exp database)
Log Koa (KOAWIN v1.10 estimate): 1.918
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3792
Biowin2 (Non-Linear Model) : 0.2599
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0931 (weeks )
Biowin4 (Primary Survey Model) : 3.7744 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6220
Biowin6 (MITI Non-Linear Model): 0.8348
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3388
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): 1.75E+005 Pa (1.31E+003 mm Hg)
Log Koa (Koawin est ): 1.918
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.72E-011
Octanol/air (Koa) model: 2.03E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.2E-010
Mackay model : 1.37E-009
Octanol/air (Koa) model: 1.63E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.2803 E-12 cm3/molecule-sec
Half-Life = 38.157 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
9.97E-010 (Junge-Pankow, Mackay avg)
1.63E-009 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.237 L/kg (MCI method)
Log Koc: 0.510 (MCI method)
Koc : 4.662 L/kg (Kow method)
Log Koc: 0.669 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Ka (acid-catalyzed) at 25 deg C : 1.718E-002 L/mol-sec
Ka Half-Life at pH 7: 12.785 years
(Total Ka applies to epoxide(s) only)
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) = -1.5730 days (HL = 0.02673 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.036 (BCF = 0.9206)
Log BAF Arnot-Gobas method (upper trophic) = -0.036 (BAF = 0.9206)
log Kow used: -0.30 (expkow database)
Volatilization from Water:
Henry LC: 0.000148 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 3.303 hours
Half-Life from Model Lake : 91.68 hours (3.82 days)
Removal In Wastewater Treatment:
Total removal: 8.60 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.65 percent
Total to Air: 6.86 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 21.7 3.38e+003 1000
Water 40.6 360 1000
Soil 37.7 720 1000
Sediment 0.0798 3.24e+003 0
Persistence Time: 266 hr