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:
SMILES : CC(C)C2c1ccccc1C(O)(C)C3OC23
CHEM :
MOL FOR: C14 H18 O2
MOL WT : 218.30
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 2.68
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 307.55 (Adapted Stein & Brown method)
Melting Pt (deg C): 90.79 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.93E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00257 (Modified Grain method)
Subcooled liquid VP: 8.3E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.0111 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 581.6
log Kow used: 2.68 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 584.57 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Epoxides, mono
Benzyl Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.12E-010 atm-m3/mole (7.21E-005 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: 9.532E-009 atm-m3/mole (9.658E-004 Pa-m3/mole)
VP: 1.93E-005 mm Hg (source: MPBPVP)
WS: 582 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.68 (KowWin est)
Log Kaw used: -7.536 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.216
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1670
Biowin2 (Non-Linear Model) : 0.0093
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4211 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3011 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1304
Biowin6 (MITI Non-Linear Model): 0.0456
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5441
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): 0.0111 Pa (8.3E-005 mm Hg)
Log Koa (Koawin est ): 10.216
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000271
Octanol/air (Koa) model: 0.00404
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0097
Mackay model : 0.0212
Octanol/air (Koa) model: 0.244
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 13.3265 E-12 cm3/molecule-sec
Half-Life = 0.803 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 9.631 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0155 (Junge-Pankow, Mackay avg)
0.244 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 217.1 L/kg (MCI method)
Log Koc: 2.337 (MCI method)
Koc : 80.44 L/kg (Kow method)
Log Koc: 1.905 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Ka (acid-catalyzed) at 25 deg C : 7.584E-003 L/mol-sec
Ka Half-Life at pH 7: 28.960 years
(Total Ka applies to epoxide(s) only)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.437 (BCF = 27.36 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1742 days (HL = 0.6696 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.635 (BCF = 43.18)
Log BAF Arnot-Gobas method (upper trophic) = 1.635 (BAF = 43.18)
log Kow used: 2.68 (estimated)
Volatilization from Water:
Henry LC: 7.12E-010 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.215E+006 hours (5.062E+004 days)
Half-Life from Model Lake : 1.325E+007 hours (5.523E+005 days)
Removal In Wastewater Treatment:
Total removal: 3.73 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 3.62 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 0.00566 19.3 1000
Water 14.3 900 1000
Soil 85.5 1.8e+003 1000
Sediment 0.18 8.1e+003 0
Persistence Time: 1.71e+003 hr