SMILES : CC1CC=C(c2c1ccc(c2)C)C(C)C
CHEM : 1,6-dimethyl-4-propan-2-yl-1,2-dihydronaphthalene
MOL FOR: C15 H20
MOL WT : 200.33
------------------------------ EPI SUMMARY (v3.20) --------------------------
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) = 6.16
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 276.37 (Adapted Stein & Brown method)
Melting Pt (deg C): 48.76 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00411 (Modified Grain method)
Subcooled liquid VP: 0.00678 mm Hg (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.2376
log Kow used: 6.16 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.33215 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 8.53E-003 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 4.560E-003 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.16 (KowWin est)
Log Kaw used: -0.458 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.618
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7615
Biowin2 (Non-Linear Model) : 0.7889
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6068 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4217 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1490
Biowin6 (MITI Non-Linear Model): 0.1087
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5014
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.0104
BioHC Half-Life (days) : 102.4143
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.904 Pa (0.00678 mm Hg)
Log Koa (Koawin est ): 6.618
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.32E-006
Octanol/air (Koa) model: 1.02E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00012
Mackay model : 0.000265
Octanol/air (Koa) model: 8.15E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 98.7718 E-12 cm3/molecule-sec
Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.299 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec
Half-Life = 0.013 Days (at 7E11 mol/cm3)
Half-Life = 18.599 Min
Fraction sorbed to airborne particulates (phi): 0.000193 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 2.48E+004
Log Koc: 4.395
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 4.046 (BCF = 1.111e+004)
log Kow used: 6.16 (estimated)
Volatilization from Water:
Henry LC: 0.00853 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4.281 hours
Half-Life from Model Lake : 135.5 hours (5.646 days)
Removal In Wastewater Treatment:
Total removal: 93.43 percent
Total biodegradation: 0.71 percent
Total sludge adsorption: 88.74 percent
Total to Air: 3.98 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.00776 0.277 1000
Water 3.15 900 1000
Soil 40 1.8e+003 1000
Sediment 56.9 8.1e+003 0
Persistence Time: 2.15e+003 hr