BT

The Good Scents Company Information Listings

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: 306-60-5

SMILES : NCCCCNC(N)=N

CHEM : (4-AMINOBUTYL)GUANIDINE

MOL FOR: C5 H14 N4

MOL WT : 130.19

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = -1.16

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

Boiling Pt (deg C): 263.57 (Adapted Stein & Brown method)

Melting Pt (deg C): 70.41 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00493 (Modified Grain method)

VP (Pa, 25 deg C) : 0.657 (Modified Grain method)

Subcooled liquid VP: 0.0132 mm Hg (25 deg C, Mod-Grain method)

: 1.76 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 9.002e+005

log Kow used: -1.16 (estimated)

no-melting pt equation used

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

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

Bond Method : 1.24E-014 atm-m3/mole (1.25E-009 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: 9.381E-010 atm-m3/mole (9.506E-005 Pa-m3/mole)

VP: 0.00493 mm Hg (source: MPBPVP)

WS: 9E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -1.16 (KowWin est)

Log Kaw used: -12.295 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.135

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8394

Biowin2 (Non-Linear Model) : 0.9063

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9359 (weeks )

Biowin4 (Primary Survey Model) : 3.7032 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5558

Biowin6 (MITI Non-Linear Model): 0.5500

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.1173

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): 1.76 Pa (0.0132 mm Hg)

Log Koa (Koawin est ): 11.135

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

Mackay model : 1.7E-006

Octanol/air (Koa) model: 0.0335

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.16E-005

Mackay model : 0.000136

Octanol/air (Koa) model: 0.728

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 129.1942 E-12 cm3/molecule-sec

Half-Life = 0.083 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.993 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

9.9E-005 (Junge-Pankow, Mackay avg)

0.728 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 94.38 L/kg (MCI method)

Log Koc: 1.975 (MCI method)

Koc : 1.572 L/kg (Kow method)

Log Koc: 0.196 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.7243 days (HL = 0.01887 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8962)

Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8962)

log Kow used: -1.16 (estimated)

Volatilization from Water:

Henry LC: 1.24E-014 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.387E+010 hours (2.245E+009 days)

Half-Life from Model Lake : 5.877E+011 hours (2.449E+010 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 2.28e-007 1.99 1000

Water 19.5 360 1000

Soil 80.4 720 1000

Sediment 0.11 3.24e+003 0

Persistence Time: 743 hr

Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) Disclaimer Privacy Policy