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: 3304-24-3
SMILES : O=C1CC(C)CCC1C(O)(C)C
CHEM :
MOL FOR: C10 H18 O2
MOL WT : 170.25
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 1.37
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 259.43 (Adapted Stein & Brown method)
Melting Pt (deg C): 50.86 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00102 (Modified Grain method)
VP (Pa, 25 deg C) : 0.136 (Modified Grain method)
Subcooled liquid VP: 0.00176 mm Hg (25 deg C, Mod-Grain method)
: 0.235 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.349e+004
log Kow used: 1.37 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 35278 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
a-,b-Ketone alcohol
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.81E-009 atm-m3/mole (5.88E-004 Pa-m3/mole)
Group Method: 1.17E-009 atm-m3/mole (1.19E-004 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: 1.694E-008 atm-m3/mole (1.716E-003 Pa-m3/mole)
VP: 0.00102 mm Hg (source: MPBPVP)
WS: 1.35E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.37 (KowWin est)
Log Kaw used: -6.624 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.994
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4894
Biowin2 (Non-Linear Model) : 0.1701
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5883 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4264 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4763
Biowin6 (MITI Non-Linear Model): 0.3434
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.4099
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): 0.235 Pa (0.00176 mm Hg)
Log Koa (Koawin est ): 7.994
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.28E-005
Octanol/air (Koa) model: 2.42E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000462
Mackay model : 0.00102
Octanol/air (Koa) model: 0.00193
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 24.2028 E-12 cm3/molecule-sec
Half-Life = 0.442 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.303 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000742 (Junge-Pankow, Mackay avg)
0.00193 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 29.31 L/kg (Kow method)
Log Koc: 1.467 (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 = 0.569 (BCF = 3.709 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9826 days (HL = 0.1041 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.450 (BCF = 2.816)
Log BAF Arnot-Gobas method (upper trophic) = 0.450 (BAF = 2.816)
log Kow used: 1.37 (estimated)
Volatilization from Water:
Henry LC: 1.17E-009 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 6.529E+005 hours (2.721E+004 days)
Half-Life from Model Lake : 7.123E+006 hours (2.968E+005 days)
Removal In Wastewater Treatment:
Total removal: 1.94 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.85 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0136 10.6 1000
Water 35.2 900 1000
Soil 64.8 1.8e+003 1000
Sediment 0.0839 8.1e+003 0
Persistence Time: 1.13e+003 hr