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: 106-92-3
SMILES : O(C1COCC=C)C1
CHEM : Oxirane, (2-propenyloxy)methyl -
MOL FOR: C6 H10 O2
MOL WT : 114.15
------------------------------ 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) = 0.45
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 129.21 (Adapted Stein & Brown method)
Melting Pt (deg C): -44.51 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.3 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 573 (Mean VP of Antoine & Grain methods)
BP (exp database): 154 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 4.326e+004
log Kow used: 0.45 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.1995e+005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Epoxides, mono
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.45E-006 atm-m3/mole (2.49E-001 Pa-m3/mole)
Group Method: 2.68E-007 atm-m3/mole (2.72E-002 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: 1.493E-005 atm-m3/mole (1.513E+000 Pa-m3/mole)
VP: 4.3 mm Hg (source: MPBPVP)
WS: 4.33E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.45 (KowWin est)
Log Kaw used: -3.999 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.449
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0015
Biowin2 (Non-Linear Model) : 0.0042
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9296 (weeks )
Biowin4 (Primary Survey Model) : 3.6636 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5251
Biowin6 (MITI Non-Linear Model): 0.5169
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0724
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): 525 Pa (3.94 mm Hg)
Log Koa (Koawin est ): 4.449
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.71E-009
Octanol/air (Koa) model: 6.9E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.06E-007
Mackay model : 4.57E-007
Octanol/air (Koa) model: 5.52E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 39.5034 E-12 cm3/molecule-sec
Half-Life = 0.271 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.249 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
3.32E-007 (Junge-Pankow, Mackay avg)
5.52E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8.059 L/kg (MCI method)
Log Koc: 0.906 (MCI method)
Koc : 9.836 L/kg (Kow method)
Log Koc: 0.993 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Ka (acid-catalyzed) at 25 deg C : 2.507E-003 L/mol-sec
Ka Half-Life at pH 7: 87.596 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) = -1.2834 days (HL = 0.05207 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.040 (BCF = 1.096)
Log BAF Arnot-Gobas method (upper trophic) = 0.040 (BAF = 1.096)
log Kow used: 0.45 (estimated)
Volatilization from Water:
Henry LC: 2.45E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 256.4 hours (10.68 days)
Half-Life from Model Lake : 2887 hours (120.3 days)
Removal In Wastewater Treatment:
Total removal: 1.99 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 percent
Total to Air: 0.14 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.67 5.06 1000
Water 41.2 360 1000
Soil 58.1 720 1000
Sediment 0.0893 3.24e+003 0
Persistence Time: 364 hr