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CAS Number: 3770-95-4

SMILES : c(ccc1NC(=O)OC(CCC2)CC2)cc1

CHEM : Carbanilic acid, Cyclohexyl ester

MOL FOR: C13 H17 N1 O2

MOL WT : 219.29

------------------------------ 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) = 4.02

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

Boiling Pt (deg C): 318.74 (Adapted Stein & Brown method)

Melting Pt (deg C): 82.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000204 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0272 (Modified Grain method)

Subcooled liquid VP: 0.000718 mm Hg (25 deg C, Mod-Grain method)

: 0.0957 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 12.78

log Kow used: 4.02 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 24.114 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Carbamate Esters

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

Bond Method : 3.97E-008 atm-m3/mole (4.02E-003 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 4.606E-006 atm-m3/mole (4.667E-001 Pa-m3/mole)

VP: 0.000204 mm Hg (source: MPBPVP)

WS: 12.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.02 (KowWin est)

Log Kaw used: -5.790 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.810

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8508

Biowin2 (Non-Linear Model) : 0.9372

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6899 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7299 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1685

Biowin6 (MITI Non-Linear Model): 0.1503

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0165

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): 0.0957 Pa (0.000718 mm Hg)

Log Koa (Koawin est ): 9.810

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

Mackay model : 3.13E-005

Octanol/air (Koa) model: 0.00158

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00113

Mackay model : 0.0025

Octanol/air (Koa) model: 0.113

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 63.8113 E-12 cm3/molecule-sec

Half-Life = 0.168 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.011 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00182 (Junge-Pankow, Mackay avg)

0.113 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1607 L/kg (MCI method)

Log Koc: 3.206 (MCI method)

Koc : 1108 L/kg (Kow method)

Log Koc: 3.045 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 9.618E-006 L/mol-sec

Kb Half-Life at pH 8: 2283.453 years

Kb Half-Life at pH 7: 2.283E+004 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.320 (BCF = 209 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8453 days (HL = 0.1428 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.764 (BCF = 58.11)

Log BAF Arnot-Gobas method (upper trophic) = 1.764 (BAF = 58.11)

log Kow used: 4.02 (estimated)

Volatilization from Water:

Henry LC: 3.97E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.184E+004 hours (910 days)

Half-Life from Model Lake : 2.384E+005 hours (9933 days)

Removal In Wastewater Treatment:

Total removal: 30.99 percent

Total biodegradation: 0.33 percent

Total sludge adsorption: 30.66 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 0.107 4.02 1000

Water 15.5 900 1000

Soil 83 1.8e+003 1000

Sediment 1.4 8.1e+003 0

Persistence Time: 1.27e+003 hr

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