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CAS Number: 2359-73-1



MOL FOR: C20 H32

MOL WT : 272.48

------------------------------ 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) = 7.54

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

Boiling Pt (deg C): 314.18 (Adapted Stein & Brown method)

Melting Pt (deg C): 99.23 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000331 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0441 (Modified Grain method)

Subcooled liquid VP: 0.00174 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.001872

log Kow used: 7.54 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.00063781 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 3.00E-001 atm-m3/mole (3.04E+004 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: 6.339E-002 atm-m3/mole (6.423E+003 Pa-m3/mole)

VP: 0.000331 mm Hg (source: MPBPVP)

WS: 0.00187 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.54 (KowWin est)

Log Kaw used: 1.089 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.451

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.1179

Biowin2 (Non-Linear Model) : 0.0004

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.7485 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.8409 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3687

Biowin6 (MITI Non-Linear Model): 0.1217

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.8474

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.5612

BioHC Half-Life (days) : 364.0599

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.232 Pa (0.00174 mm Hg)

Log Koa (Koawin est ): 6.451

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

Mackay model : 1.29E-005

Octanol/air (Koa) model: 6.93E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000467

Mackay model : 0.00103

Octanol/air (Koa) model: 5.55E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 75.0850 E-12 cm3/molecule-sec

Half-Life = 0.142 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.709 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

0.00075 (Junge-Pankow, Mackay avg)

5.55E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.803E+005 L/kg (MCI method)

Log Koc: 5.448 (MCI method)

Koc : 3.496E+006 L/kg (Kow method)

Log Koc: 6.544 (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 = 3.860 (BCF = 7243 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.7237 days (HL = 52.93 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.271 (BCF = 1868)

Log BAF Arnot-Gobas method (upper trophic) = 6.086 (BAF = 1.22e+006)

log Kow used: 7.54 (estimated)

Volatilization from Water:

Henry LC: 0.3 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.688 hours

Half-Life from Model Lake : 156.8 hours (6.534 days)

Removal In Wastewater Treatment:

Total removal: 94.81 percent

Total biodegradation: 0.70 percent

Total sludge adsorption: 88.59 percent

Total to Air: 5.53 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.103 3.35 1000

Water 4.63 4.32e+003 1000

Soil 42.1 8.64e+003 1000

Sediment 53.1 3.89e+004 0

Persistence Time: 3.02e+003 hr

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