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: 74841-87-5
SMILES : CC1=CCCC(C=CC(CC1)C(C)C)(C)O
CHEM : (2Z,7Z)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
MOL FOR: C15 H26 O1
MOL WT : 222.37
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 5.50
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 300.45 (Adapted Stein & Brown method)
Melting Pt (deg C): 60.12 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.18E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00824 (Modified Grain method)
Subcooled liquid VP: 0.000131 mm Hg (25 deg C, Mod-Grain method)
: 0.0175 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.179
log Kow used: 5.50 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 31.355 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.73E-005 atm-m3/mole (5.80E+000 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: 8.298E-006 atm-m3/mole (8.408E-001 Pa-m3/mole)
VP: 6.18E-005 mm Hg (source: MPBPVP)
WS: 2.18 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.50 (KowWin est)
Log Kaw used: -2.630 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.130
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4577
Biowin2 (Non-Linear Model) : 0.1333
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4956 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3735 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1791
Biowin6 (MITI Non-Linear Model): 0.0682
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6435
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.0175 Pa (0.000131 mm Hg)
Log Koa (Koawin est ): 8.130
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000172
Octanol/air (Koa) model: 3.31E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00617
Mackay model : 0.0136
Octanol/air (Koa) model: 0.00264
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 157.8248 E-12 cm3/molecule-sec
Half-Life = 0.068 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.813 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):
0.00986 (Junge-Pankow, Mackay avg)
0.00264 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1388 L/kg (MCI method)
Log Koc: 3.142 (MCI method)
Koc : 3596 L/kg (Kow method)
Log Koc: 3.556 (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 = 3.295 (BCF = 1973 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.7676 days (HL = 5.856 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.310 (BCF = 2040)
Log BAF Arnot-Gobas method (upper trophic) = 3.479 (BAF = 3010)
log Kow used: 5.50 (estimated)
Volatilization from Water:
Henry LC: 5.73E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 16.76 hours
Half-Life from Model Lake : 307.9 hours (12.83 days)
Removal In Wastewater Treatment:
Total removal: 88.33 percent
Total biodegradation: 0.74 percent
Total sludge adsorption: 87.40 percent
Total to Air: 0.19 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0267 0.45 1000
Water 15.2 900 1000
Soil 83.6 1.8e+003 1000
Sediment 1.16 8.1e+003 0
Persistence Time: 995 hr