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CAS Num: 000075-56-9

SMILES : O(C1C)C1

CHEM : Oxirane, methyl-

MOL FOR: C3 H6 O1

MOL WT : 58.08

------------------------------ 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) = 0.37

Log Kow (Exper. database match) = 0.03

Exper. Ref: HANSCH,C ET AL. (1995)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 31.32 (Adapted Stein & Brown method)

Melting Pt (deg C): -100.23 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 532 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 7.09E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -111.9 deg C

BP (exp database): 35 deg C

VP (exp database): 5.38E+02 mm Hg (7.17E+004 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1.293e+005

log Kow used: 0.03 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 5.9e+005 mg/L (25 deg C)

Exper. Ref: BOGYO,DA ET AL. (1980)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.28e+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 : 1.60E-004 atm-m3/mole (1.62E+001 Pa-m3/mole)

Group Method: 1.23E-004 atm-m3/mole (1.24E+001 Pa-m3/mole)

Exper Database: 6.96E-05 atm-m3/mole (7.05E+000 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: 3.144E-004 atm-m3/mole (3.186E+001 Pa-m3/mole)

VP: 532 mm Hg (source: MPBPVP)

WS: 1.29E+005 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 0.03 (exp database)

Log Kaw used: -2.546 (exp database)

Log Koa (KOAWIN v1.10 estimate): 2.576

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3725

Biowin2 (Non-Linear Model) : 0.2235

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0621 (weeks )

Biowin4 (Primary Survey Model) : 3.7542 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5734

Biowin6 (MITI Non-Linear Model): 0.7044

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4187

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): 7.17E+004 Pa (538 mm Hg)

Log Koa (Koawin est ): 2.576

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 4.18E-011

Octanol/air (Koa) model: 9.25E-011

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.51E-009

Mackay model : 3.35E-009

Octanol/air (Koa) model: 7.4E-009

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.5986 E-12 cm3/molecule-sec

Half-Life = 17.870 Days (12-hr day; 1.5E6 OH/cm3)

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.43E-009 (Junge-Pankow, Mackay avg)

7.4E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.194 L/kg (MCI method)

Log Koc: 0.715 (MCI method)

Koc : 7.097 L/kg (Kow method)

Log Koc: 0.851 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Ka (acid-catalyzed) at 25 deg C : 7.699E-002 L/mol-sec

Ka Half-Life at pH 7: 2.853 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) = -1.3461 days (HL = 0.04507 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.015 (BCF = 0.9665)

Log BAF Arnot-Gobas method (upper trophic) = -0.015 (BAF = 0.9665)

log Kow used: 0.03 (expkow database)

Volatilization from Water:

Henry LC: 6.96E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 7.189 hours

Half-Life from Model Lake : 142.3 hours (5.93 days)

Removal In Wastewater Treatment:

Total removal: 5.33 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.70 percent

Total to Air: 3.54 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 13.9 494 1000

Water 40 360 1000

Soil 46 720 1000

Sediment 0.082 3.24e+003 0

Persistence Time: 313 hr

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