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: 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