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: 56239-91-9
SMILES : C1(CCCCCC)=CCCC1O
CHEM : 2-hexylcyclopent-2-en-1-ol
MOL FOR: C11 H20 O1
MOL WT : 168.28
------------------------------ 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) = 3.93
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 257.54 (Adapted Stein & Brown method)
Melting Pt (deg C): 31.14 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00174 (Modified Grain method)
VP (Pa, 25 deg C) : 0.233 (Modified Grain method)
Subcooled liquid VP: 0.00198 mm Hg (25 deg C, Mod-Grain method)
: 0.264 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 88.57
log Kow used: 3.93 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 141.49 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 : 2.10E-005 atm-m3/mole (2.12E+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: 4.350E-006 atm-m3/mole (4.408E-001 Pa-m3/mole)
VP: 0.00174 mm Hg (source: MPBPVP)
WS: 88.6 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.93 (KowWin est)
Log Kaw used: -3.066 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.996
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9346
Biowin2 (Non-Linear Model) : 0.9729
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2856 (days-weeks )
Biowin4 (Primary Survey Model) : 4.0035 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6782
Biowin6 (MITI Non-Linear Model): 0.7704
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4274
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.264 Pa (0.00198 mm Hg)
Log Koa (Koawin est ): 6.996
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.14E-005
Octanol/air (Koa) model: 2.43E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00041
Mackay model : 0.000908
Octanol/air (Koa) model: 0.000195
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 100.7288 E-12 cm3/molecule-sec
Half-Life = 0.106 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.274 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec
Half-Life = 0.027 Days (at 7E11 mol/cm3)
Half-Life = 38.378 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.000659 (Junge-Pankow, Mackay avg)
0.000195 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 212.6 L/kg (MCI method)
Log Koc: 2.328 (MCI method)
Koc : 486.9 L/kg (Kow method)
Log Koc: 2.687 (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 = 2.263 (BCF = 183.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1170 days (HL = 0.7639 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.376 (BCF = 237.8)
Log BAF Arnot-Gobas method (upper trophic) = 2.376 (BAF = 237.9)
log Kow used: 3.93 (estimated)
Volatilization from Water:
Henry LC: 2.1E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 37.49 hours (1.562 days)
Half-Life from Model Lake : 517.8 hours (21.57 days)
Removal In Wastewater Treatment:
Total removal: 27.69 percent
Total biodegradation: 0.29 percent
Total sludge adsorption: 26.55 percent
Total to Air: 0.84 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0963 0.511 1000
Water 28.2 208 1000
Soil 71.5 416 1000
Sediment 0.227 1.87e+003 0
Persistence Time: 268 hr