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CAS Num: 018431-82-8

SMILES : C(=C(CC1)C)CC1(C(=C)CC2)C(C2)(C)C


MOL FOR: C15 H24

MOL WT : 204.36

------------------------------ 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) = 7.02

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

Boiling Pt (deg C): 252.70 (Adapted Stein & Brown method)

Melting Pt (deg C): 48.82 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0229 (Modified Grain method)

VP (Pa, 25 deg C) : 3.05 (Modified Grain method)

Subcooled liquid VP: 0.0378 mm Hg (25 deg C, Mod-Grain method)

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

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 0.01216

log Kow used: 7.02 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.76453 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.90E-001 atm-m3/mole (7.00E+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: 5.064E-001 atm-m3/mole (5.131E+004 Pa-m3/mole)

VP: 0.0229 mm Hg (source: MPBPVP)

WS: 0.0122 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.02 (KowWin est)

Log Kaw used: 1.450 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.570

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2824

Biowin2 (Non-Linear Model) : 0.0342

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3233 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2460 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3776

Biowin6 (MITI Non-Linear Model): 0.2664

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.0117

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.6425

BioHC Half-Life (days) : 439.0711

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

Vapor pressure (liquid/subcooled): 5.04 Pa (0.0378 mm Hg)

Log Koa (Koawin est ): 5.570

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

Mackay model : 5.95E-007

Octanol/air (Koa) model: 9.12E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.15E-005

Mackay model : 4.76E-005

Octanol/air (Koa) model: 7.3E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 146.4562 E-12 cm3/molecule-sec

Half-Life = 0.073 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.876 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 44.137501 E-17 cm3/molecule-sec

Half-Life = 0.026 Days (at 7E11 mol/cm3)

Half-Life = 37.389 Min

Fraction sorbed to airborne particulates (phi):

3.46E-005 (Junge-Pankow, Mackay avg)

7.3E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.729E+004 L/kg (MCI method)

Log Koc: 4.238 (MCI method)

Koc : 1.237E+006 L/kg (Kow method)

Log Koc: 6.092 (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 = 4.113 (BCF = 1.298e+004 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.7572 days (HL = 57.17 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.659 (BCF = 4559)

Log BAF Arnot-Gobas method (upper trophic) = 6.158 (BAF = 1.438e+006)

log Kow used: 7.02 (estimated)

Volatilization from Water:

Henry LC: 0.69 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.46 hours

Half-Life from Model Lake : 135.8 hours (5.658 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 97.23 percent

Total biodegradation: 0.45 percent

Total sludge adsorption: 74.78 percent

Total to Air: 22.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.255 0.46 1000

Water 46.4 900 1000

Soil 22.7 1.8e+003 1000

Sediment 30.7 8.1e+003 0

Persistence Time: 208 hr

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