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: 17378-36-8
SMILES : CCCCCCCCCCCCCCCCC(=O)O(K)
CHEM :
MOL FOR: C17 H33 O2 K1
MOL WT : 308.55
------------------------------ 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) = 3.64
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 566.40 (Adapted Stein & Brown method)
Melting Pt (deg C): 243.62 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.35E-012 (Modified Grain method)
VP (Pa, 25 deg C) : 3.14E-010 (Modified Grain method)
Subcooled liquid VP: 5.5E-010 mm Hg (25 deg C, Mod-Grain method)
: 7.33E-008 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 8.483
log Kow used: 3.64 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0086643 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : Incomplete
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: 1.125E-013 atm-m3/mole (1.140E-008 Pa-m3/mole)
VP: 2.35E-012 mm Hg (source: MPBPVP)
WS: 8.48 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7999
Biowin2 (Non-Linear Model) : 0.8396
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2644 (days-weeks )
Biowin4 (Primary Survey Model) : 4.1122 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8303
Biowin6 (MITI Non-Linear Model): 0.9101
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.0154
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): 7.33E-008 Pa (5.5E-010 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 40.9
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.999
Mackay model : 1
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 20.0419 E-12 cm3/molecule-sec
Half-Life = 0.534 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.404 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
not available (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 6418 L/kg (MCI method)
Log Koc: 3.807 (MCI method)
Koc : 147.6 L/kg (Kow method)
Log Koc: 2.169 (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 = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6045 days (HL = 4.022 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.371 (BCF = 234.9)
Log BAF Arnot-Gobas method (upper trophic) = 3.508 (BAF = 3222)
log Kow used: 7.45 (estimated)
Volatilization from Water:
Henry LC: 1.12E-013 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 9.144E+009 hours (3.81E+008 days)
Half-Life from Model Lake : 9.976E+010 hours (4.156E+009 days)
Removal In Wastewater Treatment:
Total removal: 16.63 percent
Total biodegradation: 0.21 percent
Total sludge adsorption: 16.42 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 0.00846 12.8 1000
Water 17.7 208 1000
Soil 80.1 416 1000
Sediment 2.19 1.87e+003 0
Persistence Time: 473 hr