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CAS Number: 65907-30-4

SMILES : c1ccc2CC(C)(C)Oc2c1OC(=O)N(C)SN(C)C(=O)OCCCC

CHEM : N-Thio-(N'-Me-O-Bu-carbamyl)carbofuran

MOL FOR: C18 H26 N2 O5 S1

MOL WT : 382.48

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 4.43

Log Kow (Exper. database match) = 4.70

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

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

Boiling Pt (deg C): 427.71 (Adapted Stein & Brown method)

Melting Pt (deg C): 155.16 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.75E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000233 (Modified Grain method)

MP (exp database): < 25 deg C

BP (exp database): >250 @ 760 mm Hg deg C

VP (exp database): 2.93E-08 mm Hg (3.91E-006 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.3805

log Kow used: 4.70 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 11 mg/L (25 deg C)

Exper. Ref: TOMLIN,C (1994)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.3566 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Carbamate Esters

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

Bond Method : 7.92E-009 atm-m3/mole (8.03E-004 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 1.34E-09 atm-m3/mole (1.36E-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: 2.315E-006 atm-m3/mole (2.345E-001 Pa-m3/mole)

VP: 1.75E-006 mm Hg (source: MPBPVP)

WS: 0.381 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.70 (exp database)

Log Kaw used: -7.261 (exp database)

Log Koa (KOAWIN v1.10 estimate): 11.961

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6765

Biowin2 (Non-Linear Model) : 0.6279

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3072 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4201 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.0436

Biowin6 (MITI Non-Linear Model): 0.0056

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3658

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 3.91E-006 Pa (2.93E-008 mm Hg)

Log Koa (Koawin est ): 11.961

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

Mackay model : 0.768

Octanol/air (Koa) model: 0.224

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.965

Mackay model : 0.984

Octanol/air (Koa) model: 0.947

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 37.9710 E-12 cm3/molecule-sec

Half-Life = 0.282 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.380 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.975 (Junge-Pankow, Mackay avg)

0.947 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.676E+004 L/kg (MCI method)

Log Koc: 4.224 (MCI method)

Koc : 2903 L/kg (Kow method)

Log Koc: 3.463 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.768 (BCF = 586.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6015 days (HL = 3.995 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.091 (BCF = 1233)

Log BAF Arnot-Gobas method (upper trophic) = 3.107 (BAF = 1279)

log Kow used: 4.70 (expkow database)

Volatilization from Water:

Henry LC: 1.34E-009 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 8.545E+005 hours (3.56E+004 days)

Half-Life from Model Lake : 9.322E+006 hours (3.884E+005 days)

Removal In Wastewater Treatment:

Total removal: 65.98 percent

Total biodegradation: 0.60 percent

Total sludge adsorption: 65.39 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 0.00889 6.76 1000

Water 9.87 900 1000

Soil 80.6 1.8e+003 1000

Sediment 9.53 8.1e+003 0

Persistence Time: 1.98e+003 hr

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