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: 556-52-5
SMILES : O(C1CO)C1
CHEM : Oxiranemethanol
MOL FOR: C3 H6 O2
MOL WT : 74.08
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = -1.09
Log Kow (Exper. database match) = -0.95
Exper. Ref: DENEER,JW ET AL. (1988)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 124.16 (Adapted Stein & Brown method)
Melting Pt (deg C): -42.71 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.59 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 746 (Mean VP of Antoine & Grain methods)
BP (exp database): 66 @ 2.5 mm Hg deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -0.95 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (20 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Epoxides, mono
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.84E-009 atm-m3/mole (5.91E-004 Pa-m3/mole)
Group Method: 1.41E-009 atm-m3/mole (1.43E-004 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: 5.449E-007 atm-m3/mole (5.521E-002 Pa-m3/mole)
VP: 5.59 mm Hg (source: MPBPVP)
WS: 1E+006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.95 (exp database)
Log Kaw used: -6.622 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.672
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5236
Biowin2 (Non-Linear Model) : 0.4122
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1868 (weeks )
Biowin4 (Primary Survey Model) : 3.8606 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7359
Biowin6 (MITI Non-Linear Model): 0.8606
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6570
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): 683 Pa (5.12 mm Hg)
Log Koa (Koawin est ): 5.672
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.39E-009
Octanol/air (Koa) model: 1.15E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.59E-007
Mackay model : 3.52E-007
Octanol/air (Koa) model: 9.23E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 4.6591 E-12 cm3/molecule-sec
Half-Life = 2.296 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 27.549 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.55E-007 (Junge-Pankow, Mackay avg)
9.23E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1 L/kg (MCI method)
Log Koc: 0.000 (MCI method)
Koc : 0.7899 L/kg (Kow method)
Log Koc: -0.102 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Ka (acid-catalyzed) at 25 deg C : 3.489E-003 L/mol-sec
Ka Half-Life at pH 7: 62.957 years
(Total Ka applies to epoxide(s) only)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.9708 days (HL = 0.0107 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8966)
Log BAF Arnot-Gobas method (upper trophic) = -0.047 (BAF = 0.8966)
log Kow used: -0.95 (expkow database)
Volatilization from Water:
Henry LC: 5.84E-009 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 8.629E+004 hours (3595 days)
Half-Life from Model Lake : 9.414E+005 hours (3.923E+004 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 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 0.132 55.1 1000
Water 38 360 1000
Soil 61.8 720 1000
Sediment 0.0711 3.24e+003 0
Persistence Time: 576 hr