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: 1462-03-9
SMILES : C1(O)(C)CCCC1
CHEM : 1-methylcyclopentan-1-ol
MOL FOR: C6 H12 O1
MOL WT : 100.16
------------------------------ 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) = 1.60
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 137.76 (Adapted Stein & Brown method)
Melting Pt (deg C): -26.69 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.12 (Modified Grain method)
VP (Pa, 25 deg C) : 283 (Modified Grain method)
MP (exp database): 36 deg C
BP (exp database): 136 deg C
Subcooled liquid VP: 2.66 mm Hg (25 deg C, Mod-Grain method)
: 355 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.627e+004
log Kow used: 1.60 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 42579 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.90E-006 atm-m3/mole (4.96E-001 Pa-m3/mole)
Group Method: 2.39E-006 atm-m3/mole (2.42E-001 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.717E-005 atm-m3/mole (1.740E+000 Pa-m3/mole)
VP: 2.12 mm Hg (source: MPBPVP)
WS: 1.63E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.60 (KowWin est)
Log Kaw used: -3.698 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.298
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5159
Biowin2 (Non-Linear Model) : 0.4659
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7657 (weeks )
Biowin4 (Primary Survey Model) : 3.5498 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5611
Biowin6 (MITI Non-Linear Model): 0.7308
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0578
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): 355 Pa (2.66 mm Hg)
Log Koa (Koawin est ): 5.298
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.46E-009
Octanol/air (Koa) model: 4.88E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.06E-007
Mackay model : 6.77E-007
Octanol/air (Koa) model: 3.9E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 8.0534 E-12 cm3/molecule-sec
Half-Life = 1.328 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 15.938 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.91E-007 (Junge-Pankow, Mackay avg)
3.9E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8.99 L/kg (MCI method)
Log Koc: 0.954 (MCI method)
Koc : 25.04 L/kg (Kow method)
Log Koc: 1.399 (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 = 0.722 (BCF = 5.278 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9706 days (HL = 0.107 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.613 (BCF = 4.101)
Log BAF Arnot-Gobas method (upper trophic) = 0.613 (BAF = 4.101)
log Kow used: 1.60 (estimated)
Volatilization from Water:
Henry LC: 2.39E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 246.2 hours (10.26 days)
Half-Life from Model Lake : 2770 hours (115.4 days)
Removal In Wastewater Treatment:
Total removal: 2.14 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.91 percent
Total to Air: 0.14 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.83 31.9 1000
Water 39.5 360 1000
Soil 57.6 720 1000
Sediment 0.0873 3.24e+003 0
Persistence Time: 383 hr