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CAS Number: 106-89-8

SMILES : O(C1CCL)C1

CHEM : Oxirane, (chloromethyl)-

MOL FOR: C3 H5 CL1 O1

MOL WT : 92.53

------------------------------ 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) = 0.63

Log Kow (Exper. database match) = 0.45

Exper. Ref: DENEER,JW ET AL. (1988)

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

Boiling Pt (deg C): 99.01 (Adapted Stein & Brown method)

Melting Pt (deg C): -65.50 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 17.9 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.38E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): -26 deg C

BP (exp database): 117 deg C

VP (exp database): 1.64E+01 mm Hg (2.19E+003 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 5.063e+004

log Kow used: 0.45 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 6.59e+004 mg/L (25 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 64047 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Halo Epoxides

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 5.62E-005 atm-m3/mole (5.70E+000 Pa-m3/mole)

Group Method: 2.62E-006 atm-m3/mole (2.66E-001 Pa-m3/mole)

Exper Database: 3.04E-05 atm-m3/mole (3.08E+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: 4.304E-005 atm-m3/mole (4.361E+000 Pa-m3/mole)

VP: 17.9 mm Hg (source: MPBPVP)

WS: 5.06E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.45 (exp database)

Log Kaw used: -2.906 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.356

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2447

Biowin2 (Non-Linear Model) : 0.0269

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8129 (weeks )

Biowin4 (Primary Survey Model) : 3.6039 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5210

Biowin6 (MITI Non-Linear Model): 0.4121

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5096

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): 2.19E+003 Pa (16.4 mm Hg)

Log Koa (Koawin est ): 3.356

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

Mackay model : 1.37E-009

Octanol/air (Koa) model: 5.57E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.96E-008

Mackay model : 1.1E-007

Octanol/air (Koa) model: 4.46E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.5643 E-12 cm3/molecule-sec

Half-Life = 18.953 Days (12-hr day; 1.5E6 OH/cm3)

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

7.97E-008 (Junge-Pankow, Mackay avg)

4.46E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9.907 L/kg (MCI method)

Log Koc: 0.996 (MCI method)

Koc : 12.12 L/kg (Kow method)

Log Koc: 1.083 (Kow method)

Experimental Log Koc: 1 (database)

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

Total Ka (acid-catalyzed) at 25 deg C : 6.321E-004 L/mol-sec

Ka Half-Life at pH 7: 347.450 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) = -1.1655 days (HL = 0.06832 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.046 (BCF = 1.112)

Log BAF Arnot-Gobas method (upper trophic) = 0.046 (BAF = 1.112)

log Kow used: 0.45 (expkow database)

Volatilization from Water:

Henry LC: 3.04E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 19.51 hours

Half-Life from Model Lake : 293.5 hours (12.23 days)

Removal In Wastewater Treatment:

Total removal: 3.47 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.74 percent

Total to Air: 1.64 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 10.1 583 1000

Water 37.4 360 1000

Soil 52.5 720 1000

Sediment 0.0841 3.24e+003 0

Persistence Time: 367 hr

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