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CAS Num: 008008-52-4
CHEM : Oils, coriander
MOL FOR: C10 H18 O1
MOL WT : 154.25
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 3.33
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 209.40 (Adapted Stein & Brown method)
Melting Pt (deg C): -2.85 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0417 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 5.56 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 340.1
log Kow used: 3.33 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 431.58 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.58E-005 atm-m3/mole (3.63E+000 Pa-m3/mole)
Group Method: 5.73E-006 atm-m3/mole (5.81E-001 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: 2.489E-005 atm-m3/mole (2.521E+000 Pa-m3/mole)
VP: 0.0417 mm Hg (source: MPBPVP)
WS: 340 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.33 (KowWin est)
Log Kaw used: -2.835 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.165
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5986
Biowin2 (Non-Linear Model) : 0.7189
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9445 (weeks )
Biowin4 (Primary Survey Model) : 3.7408 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5009
Biowin6 (MITI Non-Linear Model): 0.4854
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2647
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): 5.03 Pa (0.0377 mm Hg)
Log Koa (Koawin est ): 6.165
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.97E-007
Octanol/air (Koa) model: 3.59E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.16E-005
Mackay model : 4.77E-005
Octanol/air (Koa) model: 2.87E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 92.5563 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 100.1563 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.387 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.282 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 14.200000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 21.200001 E-17 cm3/molecule-sec [Trans-]
Half-Life = 1.937 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 1.297 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
3.46E-005 (Junge-Pankow, Mackay avg)
2.87E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 89.46 L/kg (MCI method)
Log Koc: 1.952 (MCI method)
Koc : 226.8 L/kg (Kow method)
Log Koc: 2.356 (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 v3.00):
Log BCF from regression-based method = 1.861 (BCF = 72.59 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1180 days (HL = 0.7621 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.118 (BCF = 131.3)
Log BAF Arnot-Gobas method (upper trophic) = 2.118 (BAF = 131.3)
log Kow used: 3.33 (estimated)
Volatilization from Water:
Henry LC: 3.58E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 21.58 hours
Half-Life from Model Lake : 339.5 hours (14.15 days)
Removal In Wastewater Treatment:
Total removal: 11.36 percent
Total biodegradation: 0.15 percent
Total sludge adsorption: 9.46 percent
Total to Air: 1.75 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.157 1.14 1000
Water 27.7 360 1000
Soil 72 720 1000
Sediment 0.151 3.24e+003 0
Persistence Time: 404 hr