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CAS Num: 007681-93-8



CHEM : Pimaricin

MOL FOR: C33 H47 N1 O13

MOL WT : 665.74

------------------------------ 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) = -3.67

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 937.83 (Adapted Stein & Brown method)

Melting Pt (deg C): 349.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.13E-029 (Modified Grain method)

VP (Pa, 25 deg C) : 1.5E-027 (Modified Grain method)

MP (exp database): 290 dec deg C

Subcooled liquid VP: 9.88E-027 mm Hg (25 deg C, Mod-Grain method)

: 1.32E-024 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 682.9

log Kow used: -3.67 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 4100 mg/L (21 deg C)

Exper. Ref: TOMLIN,C (1994)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


Aliphatic Amines-acid

Vinyl/Allyl Ethers-acid

Epoxides, mono acid subst-acid

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.24E-031 atm-m3/mole (2.27E-026 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: 1.449E-032 atm-m3/mole (1.469E-027 Pa-m3/mole)

VP: 1.13E-029 mm Hg (source: MPBPVP)

WS: 683 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: -3.67 (KowWin est)

Log Kaw used: -29.038 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 25.368

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.1071

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6503 (weeks-months)

Biowin4 (Primary Survey Model) : 3.8704 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3309

Biowin6 (MITI Non-Linear Model): 0.0001

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4418

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): 1.32E-024 Pa (9.88E-027 mm Hg)

Log Koa (Koawin est ): 25.368

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 2.28E+018

Octanol/air (Koa) model: 5.73E+012

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 418.0545 E-12 cm3/molecule-sec

Half-Life = 0.026 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 18.421 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 11.667500 E-17 cm3/molecule-sec

Half-Life = 0.098 Days (at 7E11 mol/cm3)

Half-Life = 2.357 Hrs

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 882.8 L/kg (MCI method)

Log Koc: 2.946 (MCI method)

Koc : 0.000713 L/kg (Kow method)

Log Koc: -3.147 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Ka (acid-catalyzed) at 25 deg C : 7.705E+001 L/mol-sec

Ka Half-Life at pH 7: 1.041 days

(Total Ka applies to epoxide(s) only)

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) = -2.1644 days (HL = 0.006848 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)

log Kow used: -3.67 (estimated)

Volatilization from Water:

Henry LC: 2.24E-031 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 6.744E+027 hours (2.81E+026 days)

Half-Life from Model Lake : 7.357E+028 hours (3.065E+027 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 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 8.15e-005 0.487 1000

Water 11.9 900 1000

Soil 87.5 1.8e+003 1000

Sediment 0.583 8.1e+003 0

Persistence Time: 1.82e+003 hr

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