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: 506-12-7
SMILES : O=C(O)CCCCCCCCCCCCCCCC
CHEM : Heptadecanoic acid
MOL FOR: C17 H34 O2
MOL WT : 270.46
------------------------------ 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) = 7.45
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 370.44 (Adapted Stein & Brown method)
Melting Pt (deg C): 124.69 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.84E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00379 (Modified Grain method)
MP (exp database): 61.3 deg C
BP (exp database): 363.8 deg C
VP (exp database): 6.23E-08 mm Hg (8.31E-006 Pa) at 25 deg C
Subcooled liquid VP: 1.42E-007 mm Hg (25 deg C, exp database VP )
: 1.9E-005 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.01946
log Kow used: 7.45 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.030587 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.84E-005 atm-m3/mole (3.89E+000 Pa-m3/mole)
Group Method: 5.23E-005 atm-m3/mole (5.30E+000 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: 5.194E-004 atm-m3/mole (5.262E+001 Pa-m3/mole)
VP: 2.84E-005 mm Hg (source: MPBPVP)
WS: 0.0195 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.45 (KowWin est)
Log Kaw used: -2.804 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.254
Log Koa (experimental database): None
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): 1.89E-005 Pa (1.42E-007 mm Hg)
Log Koa (Koawin est ): 10.254
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.158
Octanol/air (Koa) model: 0.00441
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.851
Mackay model : 0.927
Octanol/air (Koa) model: 0.261
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 21.0673 E-12 cm3/molecule-sec
Half-Life = 0.508 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.092 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.889 (Junge-Pankow, Mackay avg)
0.261 (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 : 1.89E+004 L/kg (Kow method)
Log Koc: 4.277 (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 = 1.750 (BCF = 56.23 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.0824 days (HL = 12.09 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.819 (BCF = 659)
Log BAF Arnot-Gobas method (upper trophic) = 4.759 (BAF = 5.746e+004)
log Kow used: 7.45 (estimated)
Volatilization from Water:
Henry LC: 5.23E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 20.09 hours
Half-Life from Model Lake : 357 hours (14.88 days)
Removal In Wastewater Treatment:
Total removal: 93.97 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.19 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 1.82 12.2 1000
Water 26.2 208 1000
Soil 70.7 416 1000
Sediment 1.35 1.87e+003 0
Persistence Time: 283 hr