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CAS Number: 293-96-9

SMILES : C(CCCCCCCC1)C1

CHEM : Cyclodecane

MOL FOR: C10 H20

MOL WT : 140.27

------------------------------ 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) = 5.14

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

Boiling Pt (deg C): 187.69 (Adapted Stein & Brown method)

Melting Pt (deg C): -38.62 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.47 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 62.7 (Mean VP of Antoine & Grain methods)

MP (exp database): 10 deg C

BP (exp database): 202 deg C

VP (exp database): 5.60E-01 mm Hg (7.47E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.9891

log Kow used: 5.14 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.8596 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.92E-001 atm-m3/mole (8.03E+004 Pa-m3/mole)

Group Method: 7.73E-001 atm-m3/mole (7.84E+004 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: 8.770E-002 atm-m3/mole (8.886E+003 Pa-m3/mole)

VP: 0.47 mm Hg (source: MPBPVP)

WS: 0.989 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.14 (KowWin est)

Log Kaw used: 1.510 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.630

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6808

Biowin2 (Non-Linear Model) : 0.7344

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8892 (weeks )

Biowin4 (Primary Survey Model) : 3.6454 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4921

Biowin6 (MITI Non-Linear Model): 0.6988

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3641

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.0984

BioHC Half-Life (days) : 125.4396

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

Vapor pressure (liquid/subcooled): 74.7 Pa (0.56 mm Hg)

Log Koa (Koawin est ): 3.630

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

Mackay model : 4.02E-008

Octanol/air (Koa) model: 1.05E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.45E-006

Mackay model : 3.21E-006

Octanol/air (Koa) model: 8.38E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 14.1305 E-12 cm3/molecule-sec

Half-Life = 0.757 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.083 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.33E-006 (Junge-Pankow, Mackay avg)

8.38E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1608 L/kg (MCI method)

Log Koc: 3.206 (MCI method)

Koc : 2.888E+004 L/kg (Kow method)

Log Koc: 4.461 (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 = 3.058 (BCF = 1144 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6455 days (HL = 4.421 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.190 (BCF = 1549)

Log BAF Arnot-Gobas method (upper trophic) = 3.242 (BAF = 1744)

log Kow used: 5.14 (estimated)

Volatilization from Water:

Henry LC: 0.792 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.209 hours

Half-Life from Model Lake : 112.5 hours (4.688 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.77 percent

Total biodegradation: 0.16 percent

Total sludge adsorption: 51.04 percent

Total to Air: 48.57 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 19.6 18.2 1000

Water 71.3 360 1000

Soil 5.35 720 1000

Sediment 3.81 3.24e+003 0

Persistence Time: 86.4 hr

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