This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 74284-57-4
SMILES : CC1CCC2C13C=CCC3(CC2(C)C)C
CHEM :
MOL FOR: C15 H24
MOL WT : 204.36
------------------------------ 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) = 5.99
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 237.12 (Adapted Stein & Brown method)
Melting Pt (deg C): 48.67 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.049 (Modified Grain method)
VP (Pa, 25 deg C) : 6.54 (Modified Grain method)
Subcooled liquid VP: 0.0808 mm Hg (25 deg C, Mod-Grain method)
: 10.8 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.09229
log Kow used: 5.99 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.038058 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.65E-001 atm-m3/mole (1.67E+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: 1.428E-001 atm-m3/mole (1.447E+004 Pa-m3/mole)
VP: 0.049 mm Hg (source: MPBPVP)
WS: 0.0923 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.99 (KowWin est)
Log Kaw used: 0.829 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.161
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0985
Biowin2 (Non-Linear Model) : 0.0063
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1112 (months )
Biowin4 (Primary Survey Model) : 3.0926 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4248
Biowin6 (MITI Non-Linear Model): 0.2051
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.0331
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 4.4742
BioHC Half-Life (days) : 29795.9961
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 10.8 Pa (0.0808 mm Hg)
Log Koa (Koawin est ): 5.161
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.78E-007
Octanol/air (Koa) model: 3.56E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.01E-005
Mackay model : 2.23E-005
Octanol/air (Koa) model: 2.85E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 63.8745 E-12 cm3/molecule-sec
Half-Life = 0.167 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.009 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec
Half-Life = 1.007 Days (at 7E11 mol/cm3)
Half-Life = 24.179 Hrs
Fraction sorbed to airborne particulates (phi):
1.62E-005 (Junge-Pankow, Mackay avg)
2.85E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.619E+004 L/kg (MCI method)
Log Koc: 4.209 (MCI method)
Koc : 1.579E+005 L/kg (Kow method)
Log Koc: 5.198 (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 = 3.620 (BCF = 4169 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.1209 days (HL = 13.21 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.581 (BCF = 3814)
Log BAF Arnot-Gobas method (upper trophic) = 4.409 (BAF = 2.563e+004)
log Kow used: 5.99 (estimated)
Volatilization from Water:
Henry LC: 0.165 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.464 hours
Half-Life from Model Lake : 135.8 hours (5.66 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 98.02 percent
Total biodegradation: 0.32 percent
Total sludge adsorption: 66.66 percent
Total to Air: 31.04 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.08 3.45 1000
Water 23.8 1.44e+003 1000
Soil 47.1 2.88e+003 1000
Sediment 28.1 1.3e+004 0
Persistence Time: 360 hr