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 Num: 013747-30-3
SMILES : CCCCCCCCCC(=O)O
CHEM : Decanoic acid, calcium salt
MOL FOR: C10 H20 O2
MOL WT : 172.27
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 4.02
Log Kow (Exper. database match) = 4.09
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 278.75 (Adapted Stein & Brown method)
Melting Pt (deg C): 62.70 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00878 (Modified Grain method)
VP (Pa, 25 deg C) : 1.17 (Modified Grain method)
MP (exp database): 31.9 deg C
BP (exp database): 268.7 deg C
VP (exp database): 3.66E-04 mm Hg (4.88E-002 Pa) at 25 deg C
Subcooled liquid VP: 0.000428 mm Hg (25 deg C, exp database VP )
: 0.0571 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 47.89
log Kow used: 4.09 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 61.8 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 111.89 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 : 5.28E-006 atm-m3/mole (5.35E-001 Pa-m3/mole)
Group Method: 4.66E-006 atm-m3/mole (4.72E-001 Pa-m3/mole)
Exper Database: 1.34E-06 atm-m3/mole (1.36E-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: 4.156E-005 atm-m3/mole (4.211E+000 Pa-m3/mole)
VP: 0.00878 mm Hg (source: MPBPVP)
WS: 47.9 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.09 (exp database)
Log Kaw used: -4.261 (exp database)
Log Koa (KOAWIN v1.10 estimate): 8.351
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8467
Biowin2 (Non-Linear Model) : 0.9548
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.4814 (days-weeks )
Biowin4 (Primary Survey Model) : 4.2538 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7765
Biowin6 (MITI Non-Linear Model): 0.8950
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8335
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): 0.0571 Pa (0.000428 mm Hg)
Log Koa (Koawin est ): 8.351
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.26E-005
Octanol/air (Koa) model: 5.51E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0019
Mackay model : 0.00419
Octanol/air (Koa) model: 0.00439
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 11.1760 E-12 cm3/molecule-sec
Half-Life = 0.957 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 11.485 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00304 (Junge-Pankow, Mackay avg)
0.00439 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 96.13 L/kg (MCI method)
Log Koc: 1.983 (MCI method)
Koc : 261.8 L/kg (Kow method)
Log Koc: 2.418 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1312 days (HL = 1.353 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.596 (BCF = 394.8)
Log BAF Arnot-Gobas method (upper trophic) = 2.597 (BAF = 395.3)
log Kow used: 4.09 (expkow database)
Volatilization from Water:
Henry LC: 1.34E-006 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 574.8 hours (23.95 days)
Half-Life from Model Lake : 6381 hours (265.9 days)
Removal In Wastewater Treatment:
Total removal: 34.38 percent
Total biodegradation: 0.35 percent
Total sludge adsorption: 33.97 percent
Total to Air: 0.05 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.78 23 1000
Water 28.8 208 1000
Soil 68.3 416 1000
Sediment 0.142 1.87e+003 0
Persistence Time: 286 hr