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CAS Number:
SMILES : C=C(C)CCC1C(C)=CCC2C(C)(C)CCCC12C
CHEM :
MOL FOR: C19 H32
MOL WT : 260.47
------------------------------ 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) = 8.16
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 304.04 (Adapted Stein & Brown method)
Melting Pt (deg C): 76.64 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000944 (Modified Grain method)
VP (Pa, 25 deg C) : 0.126 (Modified Grain method)
Subcooled liquid VP: 0.00292 mm Hg (25 deg C, Mod-Grain method)
: 0.389 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0006518
log Kow used: 8.16 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0075301 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.14E+000 atm-m3/mole (2.17E+005 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: 4.964E-001 atm-m3/mole (5.029E+004 Pa-m3/mole)
VP: 0.000944 mm Hg (source: MPBPVP)
WS: 0.000652 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.16 (KowWin est)
Log Kaw used: 1.942 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.218
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2557
Biowin2 (Non-Linear Model) : 0.0157
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1993 (months )
Biowin4 (Primary Survey Model) : 3.1651 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2957
Biowin6 (MITI Non-Linear Model): 0.0782
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.8000
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.4585
BioHC Half-Life (days) : 287.3889
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.389 Pa (0.00292 mm Hg)
Log Koa (Koawin est ): 6.218
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.71E-006
Octanol/air (Koa) model: 4.06E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000278
Mackay model : 0.000616
Octanol/air (Koa) model: 3.24E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 153.5688 E-12 cm3/molecule-sec
Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.836 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 44.200001 E-17 cm3/molecule-sec
Half-Life = 0.026 Days (at 7E11 mol/cm3)
Half-Life = 37.336 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.000447 (Junge-Pankow, Mackay avg)
3.24E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.487E+005 L/kg (MCI method)
Log Koc: 5.172 (MCI method)
Koc : 1.207E+007 L/kg (Kow method)
Log Koc: 7.082 (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 = 3.558 (BCF = 3614 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.3329 days (HL = 215.2 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.158 (BCF = 1438)
Log BAF Arnot-Gobas method (upper trophic) = 6.583 (BAF = 3.827e+006)
log Kow used: 8.16 (estimated)
Volatilization from Water:
Henry LC: 2.14 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.647 hours
Half-Life from Model Lake : 153.3 hours (6.387 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 95.31 percent
Total biodegradation: 0.65 percent
Total sludge adsorption: 86.05 percent
Total to Air: 8.61 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0812 0.453 1000
Water 32.1 1.44e+003 1000
Soil 22.6 2.88e+003 1000
Sediment 45.2 1.3e+004 0
Persistence Time: 552 hr