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CAS Number: 94361-06-5
SMILES : c1cc(CL)ccc1C(O)(C(C)C2CC2)Cn3ncnc3
CHEM : Cyproconazole
MOL FOR: C15 H18 CL1 N3 O1
MOL WT : 291.78
------------------------------ 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) = 3.25
Log Kow (Exper. database match) = 2.90
Exper. Ref: BIOBYTE (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 389.82 (Adapted Stein & Brown method)
Melting Pt (deg C): 158.36 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.71E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 7.61E-006 (Modified Grain method)
MP (exp database): 107.5 deg C
BP (exp database): > 250 @ 760 mm Hg deg C
VP (exp database): 2.59E-07 mm Hg (3.45E-005 Pa) at 20 deg C
Subcooled liquid VP: 1.7E-006 mm Hg (20 deg C, exp database VP )
: 0.000226 Pa (20 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 148
log Kow used: 2.90 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 140 mg/L (25 deg C)
Exper. Ref: TOMLIN,C (1997)
Water Sol (Exper. database match) = 140 mg/L (25 deg C)
Exper. Ref: TOMLIN,C (1994)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 346.02 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Benzyl Alcohols
Triazoles (Non-Fused)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.72E-010 atm-m3/mole (1.74E-005 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 7.10E-10 atm-m3/mole (7.19E-005 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: 1.481E-010 atm-m3/mole (1.501E-005 Pa-m3/mole)
VP: 5.71E-008 mm Hg (source: MPBPVP)
WS: 148 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.90 (exp database)
Log Kaw used: -7.537 (exp database)
Log Koa (KOAWIN v1.10 estimate): 10.437
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2423
Biowin2 (Non-Linear Model) : 0.0076
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1356 (months )
Biowin4 (Primary Survey Model) : 3.1080 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0182
Biowin6 (MITI Non-Linear Model): 0.0133
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.8930
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): 0.000227 Pa (1.7E-006 mm Hg)
Log Koa (Koawin est ): 10.437
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0132
Octanol/air (Koa) model: 0.00671
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.323
Mackay model : 0.514
Octanol/air (Koa) model: 0.349
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 14.7983 E-12 cm3/molecule-sec
Half-Life = 0.723 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 8.673 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.419 (Junge-Pankow, Mackay avg)
0.349 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1198 L/kg (MCI method)
Log Koc: 3.078 (MCI method)
Koc : 155.1 L/kg (Kow method)
Log Koc: 2.191 (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 = 1.580 (BCF = 38.06 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.4617 days (HL = 2.895 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.901 (BCF = 79.56)
Log BAF Arnot-Gobas method (upper trophic) = 1.901 (BAF = 79.59)
log Kow used: 2.90 (expkow database)
Volatilization from Water:
Henry LC: 7.1E-010 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.409E+006 hours (5.869E+004 days)
Half-Life from Model Lake : 1.537E+007 hours (6.403E+005 days)
Removal In Wastewater Treatment:
Total removal: 4.92 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 4.81 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 0.0059 17.3 1000
Water 9.34 1.44e+003 1000
Soil 89.9 2.88e+003 1000
Sediment 0.737 1.3e+004 0
Persistence Time: 2.79e+003 hr